General Information of the Compound
| Compound ID |
CP0436556
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| Compound Name |
4-[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]-1-methylindole
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| Structure |
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| Formula |
C18H15ClN4
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| Molecular Weight |
322.799
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| Canonical SMILES |
Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C18H15ClN4/c1-22-11-10-12-13(7-5-9-16(12)22)17-20-21-18(23(17)2)14-6-3-4-8-15(14)19/h3-11H,1-2H3
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| InChIKey |
IGNNXZFHMSPANF-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