General Information of the Compound
| Compound ID |
CP0540974
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| Compound Name |
4-[[2-[6-[2,6-dichloro-4-(furan-2-yl)phenyl]-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 |
C27H32Cl2N4O5S
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| Molecular Weight |
595.549
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| Canonical SMILES |
CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)-c1ccco1
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| InChI |
InChI=1S/C27H32Cl2N4O5S/c1-15-12-32(14-23(34)31-24-18-5-16-6-19(24)11-27(9-16,10-18)26(30)35)39(36,37)33(13-15)25-20(28)7-17(8-21(25)29)22-3-2-4-38-22/h2-4,7-8,15-16,18-19,24H,5-6,9-14H2,1H3,(H2,30,35)(H,31,34)
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| InChIKey |
OXMXAGRNIUSNGG-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