General Information of the Compound
| Compound ID |
CP0298538
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| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]propanamide
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| Structure |
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| Formula |
C27H41F2N3O4
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| Molecular Weight |
509.638
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| Canonical SMILES |
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1=O
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| InChI |
InChI=1S/C27H41F2N3O4/c1-5-8-36-22-14-23(30-15-22)25(33)24(12-18-10-20(28)13-21(29)11-18)31-26(34)17(4)32-7-6-19(27(32)35)9-16(2)3/h10-11,13,16-17,19,22-25,30,33H,5-9,12,14-15H2,1-4H3,(H,31,34)/t17-,19+,22+,23+,24-,25+/m0/s1
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| InChIKey |
BJPUGAOPNNOBLI-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