General Information of the Compound
| Compound ID |
CP0717315
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| Compound Name |
N-((1,4-dibenzylpiperazin-2-yl)methyl)-N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C39H41N7O2
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| Molecular Weight |
639.804
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CN(Cc3ccccc3)CCN2Cc2ccccc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C39H41N7O2/c1-43-26-31(22-41-43)39-23-40-37-15-14-32(20-38(37)42-39)46(33-18-35(47-2)21-36(19-33)48-3)28-34-27-44(24-29-10-6-4-7-11-29)16-17-45(34)25-30-12-8-5-9-13-30/h4-15,18-23,26,34H,16-17,24-25,27-28H2,1-3H3
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| InChIKey |
KNPOOYXLOYFJMB-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2