General Information of the Compound
| Compound ID |
CP0649800
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| Compound Name |
(3-methoxy-5-((3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)(3-(pyrrolidin-1-yl)propyl)amino)phenyl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C31H37N7O2
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| Molecular Weight |
539.684
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| Canonical SMILES |
COc1cc(C(=O)N2CCCC2)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C31H37N7O2/c1-35-22-24(20-33-35)30-21-32-28-9-8-25(19-29(28)34-30)38(15-7-12-36-10-3-4-11-36)26-16-23(17-27(18-26)40-2)31(39)37-13-5-6-14-37/h8-9,16-22H,3-7,10-15H2,1-2H3
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| InChIKey |
QKNXNIJTPNITNW-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