General Information of the Compound
| Compound ID |
CP0273888
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| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-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 |
C24H35F2N3O5
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| Molecular Weight |
483.556
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| Canonical SMILES |
CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O
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| InChI |
InChI=1S/C24H35F2N3O5/c1-3-4-21(31)18-5-6-29(24(18)34)13(2)23(33)28-20(22(32)19-11-17(30)12-27-19)9-14-7-15(25)10-16(26)8-14/h7-8,10,13,17-22,27,30-32H,3-6,9,11-12H2,1-2H3,(H,28,33)/t13-,17-,18+,19+,20-,21+,22+/m0/s1
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| InChIKey |
ZETIFIIPHSQINF-PMBRNAONSA-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