General Information of the Compound
| Compound ID |
CP0298251
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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)-2-oxo-3-propan-2-ylpyrrolidin-1-yl]propanamide
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| Structure |
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| Formula |
C26H39F2N3O4
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| Molecular Weight |
495.611
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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(C)C)C1=O
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| InChI |
InChI=1S/C26H39F2N3O4/c1-5-8-35-20-13-22(29-14-20)24(32)23(11-17-9-18(27)12-19(28)10-17)30-25(33)16(4)31-7-6-21(15(2)3)26(31)34/h9-10,12,15-16,20-24,29,32H,5-8,11,13-14H2,1-4H3,(H,30,33)/t16-,20+,21+,22+,23-,24+/m0/s1
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| InChIKey |
IBXXTGWKFIXDPT-IRYAZXERSA-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