General Information of the Compound
| Compound ID |
CP0159752
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| Compound Name |
N-[3-[1-[[4-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C28H31ClN2O2
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| Molecular Weight |
463.021
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| Canonical SMILES |
CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
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| InChI |
InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-5-3-4-23(18-25)22-14-16-31(17-15-22)19-21-6-10-26(11-7-21)33-27-12-8-24(29)9-13-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,30,32)
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| InChIKey |
INIGBMVFQMXBFW-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