General Information of the Compound
| Compound ID |
CP0859582
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| Compound Name |
(E)-4-(2-((3,4-Dichloro-N-methylphenyl)sulfonamido)-2-methylpropanamido)adamantane-1-carboxamide
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| Formula |
C22H29Cl2N3O4S
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| Molecular Weight |
502.464
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| Canonical SMILES |
CN(C(C)(C)C(=O)N[C@H]1C2CC3CC1C[C@](C(N)=O)(C3)C2)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H29Cl2N3O4S/c1-21(2,27(3)32(30,31)15-4-5-16(23)17(24)8-15)20(29)26-18-13-6-12-7-14(18)11-22(9-12,10-13)19(25)28/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H2,25,28)(H,26,29)/t12?,13?,14?,18-,22-
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| InChIKey |
BNNKWVCJDTZKGF-DCJPBNRXSA-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