General Information of the Compound
| Compound ID |
CP0168567
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| Compound Name |
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl]propanamide
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| Structure |
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| Formula |
C29H37F2N3O3
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| Molecular Weight |
513.629
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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)[C@H]2Cc3ccccc3CN2)C1=O
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| InChI |
InChI=1S/C29H37F2N3O3/c1-3-4-7-20-10-11-34(29(20)37)18(2)28(36)33-26(14-19-12-23(30)16-24(31)13-19)27(35)25-15-21-8-5-6-9-22(21)17-32-25/h5-6,8-9,12-13,16,18,20,25-27,32,35H,3-4,7,10-11,14-15,17H2,1-2H3,(H,33,36)/t18-,20-,25+,26-,27+/m0/s1
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| InChIKey |
YBPZORZQECJLAQ-MRWWSNIRSA-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