General Information of the Compound
| Compound ID |
CP0701302
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| Compound Name |
2-(4-(3-(4-(7-((3,5-dimethoxyphenyl)(2-(isopropylamino)ethyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)propyl)piperazin-1-yl)ethanol hydrochloride
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| Structure |
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| Formula |
C33H47ClN8O3
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| Molecular Weight |
639.245
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCN5CCN(CCO)CC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C33H46N8O3.ClH/c1-25(2)34-8-11-41(28-18-29(43-3)21-30(19-28)44-4)27-6-7-31-32(20-27)37-33(23-35-31)26-22-36-40(24-26)10-5-9-38-12-14-39(15-13-38)16-17-42;/h6-7,18-25,34,42H,5,8-17H2,1-4H3;1H
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| InChIKey |
DVPPIEKCFZHWMT-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