General Information of the Compound
| Compound ID |
CP0657878
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| Compound Name |
N-(3-(3,3-difluoropyrrolidin-1-yl)propyl)-N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C26H29ClF2N6O2
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| Molecular Weight |
531.007
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC(F)(F)C2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C26H28F2N6O2.ClH/c1-35-21-10-20(11-22(13-21)36-2)34(8-3-7-33-9-6-26(27,28)17-33)19-4-5-23-24(12-19)32-25(16-29-23)18-14-30-31-15-18;/h4-5,10-16H,3,6-9,17H2,1-2H3,(H,30,31);1H
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| InChIKey |
XYDJGMNTBSEQFA-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