General Information of the Compound
| Compound ID |
CP0557708
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| Compound Name |
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2,2-diphenylacetamide
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| Formula |
C32H34N2O3
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| Molecular Weight |
494.635
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C32H34N2O3/c1-37-28-19-11-14-25(20-28)22-33-23-30(35)29(21-24-12-5-2-6-13-24)34-32(36)31(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-20,29-31,33,35H,21-23H2,1H3,(H,34,36)/t29-,30+/m0/s1
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| InChIKey |
PPHOEEHPKILQIL-XZWHSSHBSA-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