General Information of the Compound
| Compound ID |
CP0206910
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| Compound Name |
2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-5-(pyrazin-2-yl)benzamide
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| Structure |
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| Formula |
C24H21ClN6O
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| Molecular Weight |
444.926
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1C(N)=O)-c1cnccn1
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| InChI |
InChI=1S/C24H21ClN6O/c1-31-22(18-8-3-15(13-19(18)21(26)32)20-14-27-11-12-28-20)29-30-23(31)24(9-2-10-24)16-4-6-17(25)7-5-16/h3-8,11-14H,2,9-10H2,1H3,(H2,26,32)
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| InChIKey |
XASSWSVGUZPMFR-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