General Information of the Compound
| Compound ID |
CP0145126
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| Compound Name |
5-acetyl-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide
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| Structure |
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| Formula |
C36H36F3N3O5
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| Molecular Weight |
647.694
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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)NC(C)c2ccc(F)cc2)C(C)=O)c1
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| InChI |
InChI=1S/C36H36F3N3O5/c1-21(25-7-9-29(37)10-8-25)41-35(45)27-15-26(22(2)43)16-28(17-27)36(46)42-33(14-24-11-30(38)18-31(39)12-24)34(44)20-40-19-23-5-4-6-32(13-23)47-3/h4-13,15-18,21,33-34,40,44H,14,19-20H2,1-3H3,(H,41,45)(H,42,46)/t21?,33-,34+/m0/s1
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| InChIKey |
MAFUFEDZAYCCOR-AWOMSBJDSA-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