General Information of the Compound
| Compound ID |
CP0513806
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| Compound Name |
1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole
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| Structure |
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| Formula |
C19H15F3N4
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| Molecular Weight |
356.351
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| Canonical SMILES |
Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3
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| InChIKey |
NTNLPJLHGXIPQN-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1