General Information of the Compound
| Compound ID |
CP0672788
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| Compound Name |
(S)-N-((1-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)propyl)pyrrolidin-2-yl)methyl)-1,1,1-trifluoromethanesulfonamide
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| Structure |
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| Formula |
C29H34F3N7O4S
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| Molecular Weight |
633.697
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC[C@H]2CNS(=O)(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H34F3N7O4S/c1-37-19-20(16-34-37)28-18-33-26-8-7-21(14-27(26)36-28)39(23-12-24(42-2)15-25(13-23)43-3)11-5-10-38-9-4-6-22(38)17-35-44(40,41)29(30,31)32/h7-8,12-16,18-19,22,35H,4-6,9-11,17H2,1-3H3/t22-/m0/s1
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| InChIKey |
AHQPYHJCFNYNTJ-QFIPXVFZSA-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2