General Information of the Compound
| Compound ID |
CP0698829
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| Compound Name |
3-methoxy-N-methyl-5-((3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)(3-(pyrrolidin-1-yl)propyl)amino)benzamide
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| Structure |
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| Formula |
C28H33N7O2
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| Molecular Weight |
499.619
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| Canonical SMILES |
CNC(=O)c1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C28H33N7O2/c1-29-28(36)20-13-23(15-24(14-20)37-3)35(12-6-11-34-9-4-5-10-34)22-7-8-25-26(16-22)32-27(18-30-25)21-17-31-33(2)19-21/h7-8,13-19H,4-6,9-12H2,1-3H3,(H,29,36)
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| InChIKey |
CLPZHWNOBVVCEB-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