General Information of the Compound
| Compound ID |
CP0657948
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| Compound Name |
N-(3,5-Dimethoxyphenyl)-N'-(1-methylethyl)-N-{3-[1-(tetrahydro-2H-pyran-4-ylmethyl)-1 H-pyrazol-4-yl]quinoxalin-6-yl}ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C30H39ClN6O3
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| Molecular Weight |
567.134
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C30H38N6O3.ClH/c1-21(2)31-9-10-36(25-13-26(37-3)16-27(14-25)38-4)24-5-6-28-29(15-24)34-30(18-32-28)23-17-33-35(20-23)19-22-7-11-39-12-8-22;/h5-6,13-18,20-22,31H,7-12,19H2,1-4H3;1H
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| InChIKey |
LCSFVYQVVUPYFR-UHFFFAOYSA-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