General Information of the Compound
| Compound ID |
CP0850786
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| Compound Name |
1-[(3-Fluoro-4-methyl-benzenesulfonyl)-methyl-amino]-cyclobutanecarboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C22H29FN2O3S
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| Molecular Weight |
420.55
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C2(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)cc1F
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| InChI |
InChI=1S/C22H29FN2O3S/c1-13-3-4-18(12-19(13)23)29(27,28)25(2)22(5-6-22)21(26)24-20-16-8-14-7-15(10-16)11-17(20)9-14/h3-4,12,14-17,20H,5-11H2,1-2H3,(H,24,26)
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| InChIKey |
BLPNOCBHPPWJCY-UHFFFAOYSA-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