General Information of the Compound
| Compound ID |
CP0320947
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| Compound Name |
(4-methyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-yl)-methanone
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| Structure |
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| Formula |
C23H32N2O
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| Molecular Weight |
352.522
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| Canonical SMILES |
CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1
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| InChI |
InChI=1S/C23H32N2O/c1-17-3-5-20(6-4-17)22-12-18-11-19(13-22)15-23(14-18,16-22)21(26)25-9-7-24(2)8-10-25/h3-6,18-19H,7-16H2,1-2H3
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| InChIKey |
CMXBQJXVKBWQCN-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