General Information of the Compound
| Compound ID |
CP0284921
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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]-4-phenylbutanamide
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| Structure |
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| Formula |
C36H43F2N3O3
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| Molecular Weight |
603.754
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| Canonical SMILES |
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)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/C36H43F2N3O3/c1-2-3-11-26-16-17-41(36(26)44)33(15-14-24-9-5-4-6-10-24)35(43)40-32(20-25-18-29(37)22-30(38)19-25)34(42)31-21-27-12-7-8-13-28(27)23-39-31/h4-10,12-13,18-19,22,26,31-34,39,42H,2-3,11,14-17,20-21,23H2,1H3,(H,40,43)/t26-,31+,32-,33-,34+/m0/s1
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| InChIKey |
GUUJUIXBOCRPLX-ZKZCUZKLSA-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