General Information of the Compound
| Compound ID |
CP0236662
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| Compound Name |
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C34H47F2N3O4
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| Molecular Weight |
599.763
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| Canonical SMILES |
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O
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| InChI |
InChI=1S/C34H47F2N3O4/c1-3-5-11-25-14-15-39(34(25)42)31(13-12-23-9-7-6-8-10-23)33(41)38-30(19-24-17-26(35)20-27(36)18-24)32(40)29-21-28(22-37-29)43-16-4-2/h6-10,17-18,20,25,28-32,37,40H,3-5,11-16,19,21-22H2,1-2H3,(H,38,41)/t25-,28+,29+,30-,31-,32+/m0/s1
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| InChIKey |
OFSQPUHXPQZHMJ-CZEWIVDSSA-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