General Information of the Compound
| Compound ID |
CP0672791
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| Compound Name |
(R)-2-(1-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)propyl)pyrrolidin-2-yl)acetonitrile hydrochloride
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| Structure |
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| Formula |
C29H34ClN7O2
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| Molecular Weight |
548.091
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC[C@@H]2CC#N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C29H33N7O2.ClH/c1-34-20-21(18-32-34)29-19-31-27-8-7-23(16-28(27)33-29)36(24-14-25(37-2)17-26(15-24)38-3)13-5-12-35-11-4-6-22(35)9-10-30;/h7-8,14-20,22H,4-6,9,11-13H2,1-3H3;1H/t22-;/m1./s1
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| InChIKey |
QDLMCOSRVJITKF-VZYDHVRKSA-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2