General Information of the Compound
| Compound ID |
CP0471109
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| Compound Name |
4-[[2-[6-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
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| Structure |
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| Formula |
C25H31Cl2F3N4O4S
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| Molecular Weight |
611.514
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| Canonical SMILES |
CCC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C25H31Cl2F3N4O4S/c1-2-13-10-33(39(37,38)34(11-13)22-18(26)5-17(6-19(22)27)25(28,29)30)12-20(35)32-21-15-3-14-4-16(21)9-24(7-14,8-15)23(31)36/h5-6,13-16,21H,2-4,7-12H2,1H3,(H2,31,36)(H,32,35)
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| InChIKey |
SDMZPMSZAXAJCE-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