General Information of the Compound
| Compound ID |
CP0405950
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| Compound Name |
(2S)-2-[(3R)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propylsulfonylpyrrolidin-2-yl]propan-2-yl]propanamide
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| Structure |
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| Formula |
C27H41F2N3O5S
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| Molecular Weight |
557.704
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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]2C[C@H](CN2)S(=O)(=O)CCC)C1=O
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| InChI |
InChI=1S/C27H41F2N3O5S/c1-4-6-7-19-8-9-32(27(19)35)17(3)26(34)31-24(13-18-11-20(28)14-21(29)12-18)25(33)23-15-22(16-30-23)38(36,37)10-5-2/h11-12,14,17,19,22-25,30,33H,4-10,13,15-16H2,1-3H3,(H,31,34)/t17-,19+,22+,23+,24-,25+/m0/s1
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| InChIKey |
XRDBCOOZVZBDKW-GISBNZKNSA-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