General Information of the Compound
| Compound ID |
CP0201434
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| Compound Name |
5-(1-(allyloxyimino)ethyl)-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 |
C39H42F2N4O5
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| Molecular Weight |
684.784
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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)=N/OCC=C)c1
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| InChI |
InChI=1S/C39H42F2N4O5/c1-5-14-50-45-26(3)30-19-31(38(47)43-25(2)29-11-7-6-8-12-29)21-32(20-30)39(48)44-36(18-28-15-33(40)22-34(41)16-28)37(46)24-42-23-27-10-9-13-35(17-27)49-4/h5-13,15-17,19-22,25,36-37,42,46H,1,14,18,23-24H2,2-4H3,(H,43,47)(H,44,48)/b45-26-/t25-,36+,37-/m1/s1
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| InChIKey |
BEBBWNXNDVSPEC-UPRFYVTDSA-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