General Information of the Compound
| Compound ID |
CP0667771
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| Compound Name |
2-((3,5-dimethoxycyclohexa-2,4-dienyl)(3-(1-methyl-3,5-bis(trifluoromethyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethanol
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| Structure |
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| Formula |
C24H23F6N5O3
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| Molecular Weight |
543.468
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| Canonical SMILES |
COC1=CC(N(CCO)c2ccc3ncc(-c4c(C(F)(F)F)nn(C)c4C(F)(F)F)nc3c2)CC(OC)=C1
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| InChI |
InChI=1S/C24H23F6N5O3/c1-34-22(24(28,29)30)20(21(33-34)23(25,26)27)19-12-31-17-5-4-13(10-18(17)32-19)35(6-7-36)14-8-15(37-2)11-16(9-14)38-3/h4-5,8,10-12,14,36H,6-7,9H2,1-3H3
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| InChIKey |
KCZSJNIAKYVASC-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