General Information of the Compound
| Compound ID |
CP0170890
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| Compound Name |
N-[3-chloro-4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H20Cl2N6O
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| Molecular Weight |
479.371
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1Cl
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| InChI |
InChI=1S/C24H20Cl2N6O/c1-32-21(30-31-23(32)24(9-2-10-24)15-3-5-16(25)6-4-15)18-8-7-17(13-19(18)26)29-22(33)20-14-27-11-12-28-20/h3-8,11-14H,2,9-10H2,1H3,(H,29,33)
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| InChIKey |
KYSJDYIKEDDRFU-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1