General Information of the Compound
| Compound ID |
CP0284387
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| Compound Name |
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-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 |
CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O
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| InChI |
InChI=1S/C29H39F2N3O4/c1-4-5-8-22-10-11-34(29(22)37)19(2)28(36)33-26(15-21-12-23(30)16-24(31)13-21)27(35)18-32-17-20-7-6-9-25(14-20)38-3/h6-7,9,12-14,16,19,22,26-27,32,35H,4-5,8,10-11,15,17-18H2,1-3H3,(H,33,36)/t19-,22-,26-,27+/m0/s1
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| InChIKey |
RYXMQHSUQKMLQC-ZYROZYFVSA-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