General Information of the Compound
| Compound ID |
CP0707215
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(3-(3-((2S,6R)-2,6-dimethylmorpholino)pyrrolidin-1-yl)propyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C33H44ClN7O3
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| Molecular Weight |
622.214
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC(N3C[C@@H](C)O[C@@H](C)C3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C33H43N7O3.ClH/c1-23-19-39(20-24(2)43-23)27-9-12-38(22-27)10-6-11-40(28-13-29(41-4)16-30(14-28)42-5)26-7-8-31-32(15-26)36-33(18-34-31)25-17-35-37(3)21-25;/h7-8,13-18,21,23-24,27H,6,9-12,19-20,22H2,1-5H3;1H/t23-,24+,27?;
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| InChIKey |
MWQJFJHGPDMTDO-MEVFMXSASA-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