General Information of the Compound
| Compound ID |
CP0187123
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| Compound Name |
(4-ethyl-piperazin-1-yl)-[3-(4-methoxy-phenyl)-adamantan-1-yl]-methanone
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| Structure |
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| Formula |
C24H34N2O2
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| Molecular Weight |
382.548
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(OC)cc1
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| InChI |
InChI=1S/C24H34N2O2/c1-3-25-8-10-26(11-9-25)22(27)24-15-18-12-19(16-24)14-23(13-18,17-24)20-4-6-21(28-2)7-5-20/h4-7,18-19H,3,8-17H2,1-2H3
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| InChIKey |
LGSVRPHTPVDTNN-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