General Information of the Compound
| Compound ID |
CP0531600
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| Compound Name |
N-[(1S)-2-[2-(4-hydroxyphenyl)ethylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]hexanamide
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C29H34N2O4/c1-2-3-5-10-27(33)31-28(29(34)30-20-19-22-11-15-25(32)16-12-22)24-13-17-26(18-14-24)35-21-23-8-6-4-7-9-23/h4,6-9,11-18,28,32H,2-3,5,10,19-21H2,1H3,(H,30,34)(H,31,33)/t28-/m0/s1
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| InChIKey |
VVLFGUGMOCIKLV-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