General Information of the Compound
| Compound ID |
CP0520929
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| Compound Name |
4-[[2-[6-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
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| Structure |
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| Formula |
C23H27Cl2F3N4O4S
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| Molecular Weight |
583.46
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| Canonical SMILES |
NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(cc4Cl)C(F)(F)F)S1(=O)=O)C(C3)C2
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| InChI |
InChI=1S/C23H27Cl2F3N4O4S/c24-16-6-15(23(26,27)28)7-17(25)20(16)32-3-1-2-31(37(32,35)36)11-18(33)30-19-13-4-12-5-14(19)10-22(8-12,9-13)21(29)34/h6-7,12-14,19H,1-5,8-11H2,(H2,29,34)(H,30,33)
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| InChIKey |
ALGBUNXBBMVLMQ-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1