General Information of the Compound
| Compound ID |
CP0892069
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| Compound Name |
(E)-4-(1-((3-Chloro-N,4-dimethylphenyl)sulfonamido)-cyclopentane-1-carboxamido)adamantane-1-carboxamide
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| Formula |
C25H34ClN3O4S
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| Molecular Weight |
508.084
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C2(C(=O)N[C@H]3C4CC5CC3C[C@](C(N)=O)(C5)C4)CCCC2)cc1Cl
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| InChI |
InChI=1S/C25H34ClN3O4S/c1-15-5-6-19(11-20(15)26)34(32,33)29(2)25(7-3-4-8-25)23(31)28-21-17-9-16-10-18(21)14-24(12-16,13-17)22(27)30/h5-6,11,16-18,21H,3-4,7-10,12-14H2,1-2H3,(H2,27,30)(H,28,31)/t16?,17?,18?,21-,24-
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| InChIKey |
DQDTZQDKCZNBKZ-DRQKDHDASA-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