General Information of the Compound
| Compound ID |
CP0169330
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| Compound Name |
(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3R)-2-oxo-3-propan-2-ylpyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C35H43F2N3O4
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| Molecular Weight |
607.742
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)c1
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| InChI |
InChI=1S/C35H43F2N3O4/c1-23(2)30-14-15-40(35(30)43)32(13-12-24-8-5-4-6-9-24)34(42)39-31(19-26-16-27(36)20-28(37)17-26)33(41)22-38-21-25-10-7-11-29(18-25)44-3/h4-11,16-18,20,23,30-33,38,41H,12-15,19,21-22H2,1-3H3,(H,39,42)/t30-,31+,32+,33-/m1/s1
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| InChIKey |
WPFRSKLWUXEGKP-JDIHBLRXSA-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