General Information of the Compound
| Compound ID |
CP0268160
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| Compound Name |
N-[(1S)-2-[[3-(aminomethyl)phenyl]methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]hexanamide
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCc1cccc(CN)c1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C29H35N3O3/c1-2-3-5-13-27(33)32-28(29(34)31-20-24-12-8-11-23(18-24)19-30)25-14-16-26(17-15-25)35-21-22-9-6-4-7-10-22/h4,6-12,14-18,28H,2-3,5,13,19-21,30H2,1H3,(H,31,34)(H,32,33)/t28-/m0/s1
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| InChIKey |
ODNMDXGBWTYGGY-NDEPHWFRSA-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