General Information of the Compound
| Compound ID |
CP0892070
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| Compound Name |
(E)-4-(2-Methyl-2-(N-methylphenylsulfonamido)-propanamido)adamantane-1-carboxamide
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| Formula |
C22H31N3O4S
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| Molecular Weight |
433.574
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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)c1ccccc1
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| InChI |
InChI=1S/C22H31N3O4S/c1-21(2,25(3)30(28,29)17-7-5-4-6-8-17)20(27)24-18-15-9-14-10-16(18)13-22(11-14,12-15)19(23)26/h4-8,14-16,18H,9-13H2,1-3H3,(H2,23,26)(H,24,27)/t14?,15?,16?,18-,22-
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| InChIKey |
KLRKSKKECXIPRC-UEYBDPOWSA-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