General Information of the Compound
| Compound ID |
CP0657835
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(3-(piperidin-1-yl)pyrrolidin-1-yl)propyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C32H41N7O2
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| Molecular Weight |
555.727
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC(N3CCCCC3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C32H41N7O2/c1-36-22-24(20-34-36)32-21-33-30-9-8-25(18-31(30)35-32)39(27-16-28(40-2)19-29(17-27)41-3)14-7-11-37-15-10-26(23-37)38-12-5-4-6-13-38/h8-9,16-22,26H,4-7,10-15,23H2,1-3H3
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| InChIKey |
YOPGGAOPPHWDEP-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