General Information of the Compound
| Compound ID |
CP0296010
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| Compound Name |
5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide
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| Structure |
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| Formula |
C36H37F2N3O5
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| Molecular Weight |
629.704
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)=O)c1
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| InChI |
InChI=1S/C36H37F2N3O5/c1-22(26-9-5-4-6-10-26)40-35(44)28-16-27(23(2)42)17-29(18-28)36(45)41-33(15-25-12-30(37)19-31(38)13-25)34(43)21-39-20-24-8-7-11-32(14-24)46-3/h4-14,16-19,22,33-34,39,43H,15,20-21H2,1-3H3,(H,40,44)(H,41,45)/t22-,33+,34-/m1/s1
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| InChIKey |
QHCBYORKPNVPHH-WMIQCMSQSA-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