General Information of the Compound
| Compound ID |
CP0012721
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| Compound Name |
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[[(2S)-2,3-dihydroxypropoxy]methyl]pyridin-2-yl]methanone
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| Structure |
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| Formula |
C30H34N2O6
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| Molecular Weight |
518.61
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| Canonical SMILES |
COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1
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| InChI |
InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1
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| InChIKey |
LTTJGQBDGMNWHJ-SANMLTNESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01093, 3-phosphoinositide-dependent protein kinase 1
Protein ID: PT00883, Angiopoietin-1 receptor
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01210, Casein kinase II subunit alpha
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT02470, Lysine--tRNA ligase
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00998, Mitogen-activated protein kinase 10
Protein ID: PT00945, Mitogen-activated protein kinase 11
Protein ID: PT00861, Mitogen-activated protein kinase 14
Protein ID: PT00863, Mitogen-activated protein kinase 8
Protein ID: PT00872, Mitogen-activated protein kinase 9
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00858, Protein kinase C alpha type
Protein ID: PT01495, Protein kinase C beta type
Protein ID: PT00869, Protein kinase C gamma type
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01116, RAF proto-oncogene serine/threonine-protein kinase
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00890, Rho-associated protein kinase 2
Protein ID: PT00944, Ribosomal protein S6 kinase alpha-5
Protein ID: PT00865, Serine/threonine-protein kinase Chk1
Protein ID: PT01252, Serine/threonine-protein kinase PLK1
Protein ID: PT01063, Serine/threonine-protein kinase Sgk1
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01237, Tyrosine-protein kinase Fyn
Protein ID: PT00876, Tyrosine-protein kinase Lck
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2