General Information of the Compound
| Compound ID |
CP0048754
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| Compound Name |
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C34H35F2N3O4
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| Molecular Weight |
587.667
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)N[C@H](C)c2ccccc2)c1
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| InChI |
InChI=1S/C34H35F2N3O4/c1-22(25-9-4-3-5-10-25)38-33(41)26-11-7-12-27(18-26)34(42)39-31(17-24-14-28(35)19-29(36)15-24)32(40)21-37-20-23-8-6-13-30(16-23)43-2/h3-16,18-19,22,31-32,37,40H,17,20-21H2,1-2H3,(H,38,41)(H,39,42)/t22-,31+,32-/m1/s1
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| InChIKey |
KXISFJPUHFUAMS-RXMJOPNQSA-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