General Information of the Compound
| Compound ID |
CP0788953
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| Compound Name |
N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(hydroxyimino)ethyl)-N3,N3-dipropylisophthalamide
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| Structure |
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| Formula |
C34H42F2N4O5
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| Molecular Weight |
624.729
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)cc(/C(C)=N\O)c1
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| InChI |
InChI=1S/C34H42F2N4O5/c1-5-10-40(11-6-2)34(43)27-17-25(22(3)39-44)16-26(18-27)33(42)38-31(15-24-12-28(35)19-29(36)13-24)32(41)21-37-20-23-8-7-9-30(14-23)45-4/h7-9,12-14,16-19,31-32,37,41,44H,5-6,10-11,15,20-21H2,1-4H3,(H,38,42)/b39-22-/t31-,32+/m0/s1
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| InChIKey |
YQQDWRLQYHCVKI-RCCJQNJZSA-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