General Information of the Compound
| Compound ID |
CP0704138
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| Compound Name |
(S)-3-[{3-[1-(3-Aminopropyl)-1H-pyrazol-4-yl]quinoxalin-6-yl}(3,5-dimethoxyphenyl)amino]-1,1,1-trifluoropropan-2-ol
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| Structure |
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| Formula |
C25H27F3N6O3
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| Molecular Weight |
516.524
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| Canonical SMILES |
COc1cc(OC)cc(N(C[C@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1
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| InChI |
InChI=1S/C25H27F3N6O3/c1-36-19-8-18(9-20(11-19)37-2)34(15-24(35)25(26,27)28)17-4-5-21-22(10-17)32-23(13-30-21)16-12-31-33(14-16)7-3-6-29/h4-5,8-14,24,35H,3,6-7,15,29H2,1-2H3/t24-/m0/s1
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| InChIKey |
WRSYRDYMLSQTFT-DEOSSOPVSA-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