General Information of the Compound
| Compound ID |
CP0657944
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| Compound Name |
1-(4-(4-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)piperazin-1-yl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C33H42N8O3
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| Molecular Weight |
598.752
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CCN(C3CCN(C(C)=O)CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C33H42N8O3/c1-24(42)39-9-7-26(8-10-39)40-14-11-38(12-15-40)13-16-41(28-17-29(43-3)20-30(18-28)44-4)27-5-6-31-32(19-27)36-33(22-34-31)25-21-35-37(2)23-25/h5-6,17-23,26H,7-16H2,1-4H3
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| InChIKey |
ACYBEMFGBZHIBB-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