General Information of the Compound
| Compound ID |
CP0242049
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| Compound Name |
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C24H25ClN4O
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| Molecular Weight |
420.944
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C24H25ClN4O/c1-28-21(17-5-7-18(8-6-17)22(30)29-15-2-3-16-29)26-27-23(28)24(13-4-14-24)19-9-11-20(25)12-10-19/h5-12H,2-4,13-16H2,1H3
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| InChIKey |
HNNUFGHXZACPCD-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