General Information of the Compound
| Compound ID |
CP0649796
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| Compound Name |
1-(4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)-3-(piperidin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C31H38N6O3
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| Molecular Weight |
542.684
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(O)CN5CCCCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C31H38N6O3/c1-39-27-12-25(13-28(15-27)40-2)37(18-22-6-7-22)24-8-9-29-30(14-24)34-31(17-32-29)23-16-33-36(19-23)21-26(38)20-35-10-4-3-5-11-35/h8-9,12-17,19,22,26,38H,3-7,10-11,18,20-21H2,1-2H3
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| InChIKey |
BFQGJTMYIGHGLT-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