General Information of the Compound
| Compound ID |
CP0397320
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| Compound Name |
4-[[2-(4-methyl-1,1-dioxo-6-pyridin-2-yl-1,2,6-thiadiazinan-2-yl)acetyl]amino]adamantane-1-carboxamide
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| Structure |
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| Formula |
C22H31N5O4S
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| Molecular Weight |
461.588
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| Canonical SMILES |
CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1ccccn1
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| InChI |
InChI=1S/C22H31N5O4S/c1-14-11-26(32(30,31)27(12-14)18-4-2-3-5-24-18)13-19(28)25-20-16-6-15-7-17(20)10-22(8-15,9-16)21(23)29/h2-5,14-17,20H,6-13H2,1H3,(H2,23,29)(H,25,28)
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| InChIKey |
VONJHVLNOJNDHP-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