General Information of the Compound
| Compound ID |
CP0403576
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| Compound Name |
N-[(1S)-2-[[4-[(dimethylamino)methyl]phenyl]methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]hexanamide
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| Structure |
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| Formula |
C31H39N3O3
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| Molecular Weight |
501.671
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCc1ccc(CN(C)C)cc1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C31H39N3O3/c1-4-5-7-12-29(35)33-30(31(36)32-21-24-13-15-25(16-14-24)22-34(2)3)27-17-19-28(20-18-27)37-23-26-10-8-6-9-11-26/h6,8-11,13-20,30H,4-5,7,12,21-23H2,1-3H3,(H,32,36)(H,33,35)/t30-/m0/s1
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| InChIKey |
ZVMLCFAVELVMDS-PMERELPUSA-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