General Information of the Compound
| Compound ID |
CP0284389
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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]propanamide
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| Structure |
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| Formula |
C28H37F2N3O4
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| Molecular Weight |
517.617
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](C(C)C)C2=O)c1
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| InChI |
InChI=1S/C28H37F2N3O4/c1-17(2)24-8-9-33(28(24)36)18(3)27(35)32-25(13-20-10-21(29)14-22(30)11-20)26(34)16-31-15-19-6-5-7-23(12-19)37-4/h5-7,10-12,14,17-18,24-26,31,34H,8-9,13,15-16H2,1-4H3,(H,32,35)/t18-,24+,25-,26+/m0/s1
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| InChIKey |
UQKUYECLNCZEAK-YSQWDHOWSA-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