General Information of the Compound
| Compound ID |
CP0704629
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| Compound Name |
2-(4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)-2-methyl-1-(piperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C31H37N7O3
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| Molecular Weight |
555.683
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)(C)C(=O)N5CCNCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C31H37N7O3/c1-31(2,30(39)36-11-9-32-10-12-36)38-20-22(17-34-38)29-18-33-27-8-7-23(15-28(27)35-29)37(19-21-5-6-21)24-13-25(40-3)16-26(14-24)41-4/h7-8,13-18,20-21,32H,5-6,9-12,19H2,1-4H3
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| InChIKey |
RZRVTNNQCLYNOB-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