General Information of the Compound
| Compound ID |
CP0456007
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| Compound Name |
N-[4-[3-(4-cyanophenyl)-1-adamantyl]phenyl]hexanamide
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| Structure |
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| Formula |
C29H34N2O
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| Molecular Weight |
426.604
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| Canonical SMILES |
CCCCCC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H34N2O/c1-2-3-4-5-27(32)31-26-12-10-25(11-13-26)29-17-22-14-23(18-29)16-28(15-22,20-29)24-8-6-21(19-30)7-9-24/h6-13,22-23H,2-5,14-18,20H2,1H3,(H,31,32)
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| InChIKey |
UPZKOHCXEINLNV-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