General Information of the Compound
| Compound ID |
CP0657887
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| Compound Name |
tert-butyl 4-(4-(7-((3,5-dimethoxyphenyl)(2-(isopropylamino)ethyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C34H45N7O4
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| Molecular Weight |
615.779
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C34H45N7O4/c1-23(2)35-12-15-40(27-16-28(43-6)19-29(17-27)44-7)26-8-9-30-31(18-26)38-32(21-36-30)24-20-37-41(22-24)25-10-13-39(14-11-25)33(42)45-34(3,4)5/h8-9,16-23,25,35H,10-15H2,1-7H3
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| InChIKey |
FXWYSUDYIQPVOJ-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