General Information of the Compound
| Compound ID |
CP0410427
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| Compound Name |
N-[4-[3-(4-cyanophenyl)-1-adamantyl]phenyl]benzamide
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| Structure |
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| Formula |
C30H28N2O
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| Molecular Weight |
432.567
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N)c1ccccc1
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| InChI |
InChI=1S/C30H28N2O/c31-19-21-6-8-25(9-7-21)29-15-22-14-23(16-29)18-30(17-22,20-29)26-10-12-27(13-11-26)32-28(33)24-4-2-1-3-5-24/h1-13,22-23H,14-18,20H2,(H,32,33)
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| InChIKey |
GTOQCFAUBZRUME-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