General Information of the Compound
| Compound ID |
CP0692233
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| Compound Name |
(S)-N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C27H33ClN6O2
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| Molecular Weight |
509.054
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H32N6O2.ClH/c1-19-6-5-9-32(19)10-11-33(22-12-23(34-3)15-24(13-22)35-4)21-7-8-25-26(14-21)30-27(17-28-25)20-16-29-31(2)18-20;/h7-8,12-19H,5-6,9-11H2,1-4H3;1H/t19-;/m0./s1
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| InChIKey |
CHNWMSQQHAFKHI-FYZYNONXSA-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