General Information of the Compound
| Compound ID |
CP0091366
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| Compound Name |
(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]propanamide
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| Structure |
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| Formula |
C29H39F2N3O4
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| Molecular Weight |
531.644
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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](CC(C)C)C2=O)c1
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| InChI |
InChI=1S/C29H39F2N3O4/c1-18(2)10-22-8-9-34(29(22)37)19(3)28(36)33-26(14-21-11-23(30)15-24(31)12-21)27(35)17-32-16-20-6-5-7-25(13-20)38-4/h5-7,11-13,15,18-19,22,26-27,32,35H,8-10,14,16-17H2,1-4H3,(H,33,36)/t19-,22+,26-,27+/m0/s1
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| InChIKey |
CDPZXZPLCSENLY-OCPVPXFWSA-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