General Information of the Compound
| Compound ID |
CP0284926
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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-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]propanamide
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| Structure |
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| Formula |
C27H41F2N3O5
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| Molecular Weight |
525.637
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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]([C@H](O)CCC)C1=O
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| InChI |
InChI=1S/C27H41F2N3O5/c1-4-6-24(33)21-7-8-32(27(21)36)16(3)26(35)31-23(12-17-10-18(28)13-19(29)11-17)25(34)22-14-20(15-30-22)37-9-5-2/h10-11,13,16,20-25,30,33-34H,4-9,12,14-15H2,1-3H3,(H,31,35)/t16-,20+,21+,22+,23-,24+,25+/m0/s1
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| InChIKey |
XCHFFXDCKJJIKQ-APIVQFLDSA-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