General Information of the Compound
| Compound ID |
CP0850787
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| Compound Name |
(E)-4-(1-((3-Chloro-N,4-dimethylphenyl)sulfonamido)-cyclobutane-1-carboxamido)adamantane-1-carboxamide
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| Formula |
C24H32ClN3O4S
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| Molecular Weight |
494.057
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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)CCC2)cc1Cl
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| InChI |
InChI=1S/C24H32ClN3O4S/c1-14-4-5-18(10-19(14)25)33(31,32)28(2)24(6-3-7-24)22(30)27-20-16-8-15-9-17(20)13-23(11-15,12-16)21(26)29/h4-5,10,15-17,20H,3,6-9,11-13H2,1-2H3,(H2,26,29)(H,27,30)/t15?,16?,17?,20-,23-
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| InChIKey |
UUURRZHKCCAQGI-KOVCZQLCSA-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1