General Information of the Compound
| Compound ID |
CP0707084
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| Compound Name |
(1s,4s)-N1-(3,5-dimethoxyphenyl)-N4-isopropyl-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)cyclohexane-1,4-diamine
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| Formula |
C29H36N6O2
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| Molecular Weight |
500.647
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| Canonical SMILES |
COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@H]2CC[C@@H](NC(C)C)CC2)c1
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| InChI |
InChI=1S/C29H36N6O2/c1-19(2)32-21-6-8-22(9-7-21)35(24-12-25(36-4)15-26(13-24)37-5)23-10-11-27-28(14-23)33-29(17-30-27)20-16-31-34(3)18-20/h10-19,21-22,32H,6-9H2,1-5H3/t21-,22+
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| InChIKey |
AHSYHYFTUKZLCI-SZPZYZBQSA-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