General Information of the Compound
| Compound ID |
CP0636968
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| Compound Name |
5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-N-(2,3,6-trifluorobenzyl)pyridin-2-amine
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| Structure |
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| Formula |
C17H12F6N4
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| Molecular Weight |
386.299
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| Canonical SMILES |
Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)ccc(F)c2F)nc1
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| InChI |
InChI=1S/C17H12F6N4/c1-27-13(6-14(26-27)17(21,22)23)9-2-5-15(24-7-9)25-8-10-11(18)3-4-12(19)16(10)20/h2-7H,8H2,1H3,(H,24,25)
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| InChIKey |
GLURMROUHGYRED-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