General Information of the Compound
| Compound ID |
CP0402384
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| Compound Name |
4-[[2-[6-(2,6-dichloro-4-phenylphenyl)-4-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
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| Structure |
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| Formula |
C29H34Cl2N4O4S
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| Molecular Weight |
605.588
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| Canonical SMILES |
CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)-c1ccccc1
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| InChI |
InChI=1S/C29H34Cl2N4O4S/c1-17-14-34(16-25(36)33-26-21-7-18-8-22(26)13-29(11-18,12-21)28(32)37)40(38,39)35(15-17)27-23(30)9-20(10-24(27)31)19-5-3-2-4-6-19/h2-6,9-10,17-18,21-22,26H,7-8,11-16H2,1H3,(H2,32,37)(H,33,36)
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| InChIKey |
RMHQPWCJPNHIDN-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