General Information of the Compound
| Compound ID |
CP0860140
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| Compound Name |
(E)-4-(2-Methyl-2-((2,3,4-trifluoro-N-methylphenyl)-sulfonamido)propanamido)adamantane-1-carboxamide
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| Formula |
C22H28F3N3O4S
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| Molecular Weight |
487.544
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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(F)c(F)c1F
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| InChI |
InChI=1S/C22H28F3N3O4S/c1-21(2,28(3)33(31,32)15-5-4-14(23)16(24)17(15)25)20(30)27-18-12-6-11-7-13(18)10-22(8-11,9-12)19(26)29/h4-5,11-13,18H,6-10H2,1-3H3,(H2,26,29)(H,27,30)/t11?,12?,13?,18-,22-
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| InChIKey |
WFUQDTKPKDREJY-ZEJPDYNPSA-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