General Information of the Compound
| Compound ID |
CP0390008
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| Compound Name |
N-[4-[3-(4-cyanophenyl)-1-adamantyl]phenyl]-N-ethylacetamide
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| Structure |
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| Formula |
C27H30N2O
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| Molecular Weight |
398.55
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2
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| InChI |
InChI=1S/C27H30N2O/c1-3-29(19(2)30)25-10-8-24(9-11-25)27-15-21-12-22(16-27)14-26(13-21,18-27)23-6-4-20(17-28)5-7-23/h4-11,21-22H,3,12-16,18H2,1-2H3
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| InChIKey |
ORCKXRWVSVDFEI-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