General Information of the Compound
| Compound ID |
CP0283150
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| Compound Name |
N-[4-[3-(4-cyanophenyl)-1-adamantyl]phenyl]-N-methylbenzamide
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| Structure |
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| Formula |
C31H30N2O
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| Molecular Weight |
446.594
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2
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| InChI |
InChI=1S/C31H30N2O/c1-33(29(34)25-5-3-2-4-6-25)28-13-11-27(12-14-28)31-18-23-15-24(19-31)17-30(16-23,21-31)26-9-7-22(20-32)8-10-26/h2-14,23-24H,15-19,21H2,1H3
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| InChIKey |
RORWTHZXKLWOIU-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