General Information of the Compound
| Compound ID |
CP0850601
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| Compound Name |
(E)-4-(2-((3-Fluoro-N,4-dimethylphenyl)sulfonamido)-2-methylpropanamido)adamantane-1-carboxamide
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| Formula |
C23H32FN3O4S
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| Molecular Weight |
465.591
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C(C)(C)C(=O)N[C@H]2C3CC4CC2C[C@](C(N)=O)(C4)C3)cc1F
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| InChI |
InChI=1S/C23H32FN3O4S/c1-13-5-6-17(9-18(13)24)32(30,31)27(4)22(2,3)21(29)26-19-15-7-14-8-16(19)12-23(10-14,11-15)20(25)28/h5-6,9,14-16,19H,7-8,10-12H2,1-4H3,(H2,25,28)(H,26,29)/t14?,15?,16?,19-,23-
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| InChIKey |
DWWBKSGFFWNSFX-PMWRMVHLSA-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