General Information of the Compound
| Compound ID |
CP0317450
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| Compound Name |
2-[(2R)-4-(2-fluoro-4-methylsulfonylphenyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C27H34FN5O4S
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| Molecular Weight |
543.665
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C27H34FN5O4S/c1-16-15-32(23-4-3-20(11-21(23)28)38(2,36)37)7-8-33(16)26-29-6-5-22(30-26)25(34)31-24-18-9-17-10-19(24)14-27(35,12-17)13-18/h3-6,11,16-19,24,35H,7-10,12-15H2,1-2H3,(H,31,34)/t16-,17?,18?,19?,24?,27?/m1/s1
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| InChIKey |
SSKKTEYBWOVEET-REKAHOPZSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2