General Information of the Compound
| Compound ID |
CP0692226
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| Compound Name |
N-(3-(3,3-difluoropyrrolidin-1-yl)propyl)-N-(3,5-dimethoxyphenyl)-3-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C32H39ClF2N6O3
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| Molecular Weight |
629.152
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC(F)(F)C2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C32H38F2N6O3.ClH/c1-41-27-14-26(15-28(17-27)42-2)40(10-3-9-38-11-8-32(33,34)22-38)25-4-5-29-30(16-25)37-31(19-35-29)24-18-36-39(21-24)20-23-6-12-43-13-7-23;/h4-5,14-19,21,23H,3,6-13,20,22H2,1-2H3;1H
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| InChIKey |
PKDWWWNNWJXIJE-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