General Information of the Compound
| Compound ID |
CP0445752
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| Compound Name |
N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-2,2-diphenylheptanamide
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| Structure |
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| Formula |
C37H49N3O2
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| Molecular Weight |
567.818
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| Canonical SMILES |
CCCCCC(C(=O)NCCCN1CCC(CC1)c1cccc(NC(=O)C(C)C)c1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C37H49N3O2/c1-4-5-12-23-37(32-16-8-6-9-17-32,33-18-10-7-11-19-33)36(42)38-24-14-25-40-26-21-30(22-27-40)31-15-13-20-34(28-31)39-35(41)29(2)3/h6-11,13,15-20,28-30H,4-5,12,14,21-27H2,1-3H3,(H,38,42)(H,39,41)
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| InChIKey |
ZSVOQOFSUFNFFR-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