General Information of the Compound
| Compound ID |
CP0946852
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| Compound Name |
(E)-4-(1-((3-Fluoro-4-methylphenyl)sulfonamido)-cyclopropane-1-carboxamido)adamantane-1-carboxamide
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| Formula |
C22H28FN3O4S
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| Molecular Weight |
449.548
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)NC2(C(=O)N[C@H]3C4CC5CC3C[C@](C(N)=O)(C5)C4)CC2)cc1F
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| InChI |
InChI=1S/C22H28FN3O4S/c1-12-2-3-16(8-17(12)23)31(29,30)26-22(4-5-22)20(28)25-18-14-6-13-7-15(18)11-21(9-13,10-14)19(24)27/h2-3,8,13-15,18,26H,4-7,9-11H2,1H3,(H2,24,27)(H,25,28)/t13?,14?,15?,18-,21-
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| InChIKey |
ZMIAQTWWAKOWFO-YLGPJNIESA-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