General Information of the Compound
| Compound ID |
CP0860093
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| Compound Name |
(E)-4-(1-((3-Fluoro-4-methyl-N-propylphenyl)sulfonamido)-cyclopropane-1-carboxamido)adamantane-1-carboxamide
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| Formula |
C25H34FN3O4S
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| Molecular Weight |
491.629
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| Canonical SMILES |
CCCN(C1(C(=O)N[C@H]2C3CC4CC2C[C@](C(N)=O)(C4)C3)CC1)S(=O)(=O)c1ccc(C)c(F)c1
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| InChI |
InChI=1S/C25H34FN3O4S/c1-3-8-29(34(32,33)19-5-4-15(2)20(26)11-19)25(6-7-25)23(31)28-21-17-9-16-10-18(21)14-24(12-16,13-17)22(27)30/h4-5,11,16-18,21H,3,6-10,12-14H2,1-2H3,(H2,27,30)(H,28,31)/t16?,17?,18?,21-,24-
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| InChIKey |
VZISDVZNHTWFAH-DRQKDHDASA-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