General Information of the Compound
| Compound ID |
CP0391035
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| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-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 |
C29H38F2N4O4
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| Molecular Weight |
544.643
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| Canonical SMILES |
CC(C)C[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)Oc2ccccn2)C1=O
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| InChI |
InChI=1S/C29H38F2N4O4/c1-17(2)10-20-7-9-35(29(20)38)18(3)28(37)34-25(13-19-11-21(30)14-22(31)12-19)27(36)24-15-23(16-33-24)39-26-6-4-5-8-32-26/h4-6,8,11-12,14,17-18,20,23-25,27,33,36H,7,9-10,13,15-16H2,1-3H3,(H,34,37)/t18-,20+,23+,24+,25-,27+/m0/s1
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| InChIKey |
OMRUCWQDVCCDPB-OLPGIOPVSA-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