General Information of the Compound
| Compound ID |
CP0333776
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| Compound Name |
N-[(1S,2S)-1-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H34F2N4O4
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| Molecular Weight |
528.6
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| Canonical SMILES |
CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C28H34F2N4O4/c1-2-3-9-33-16-20(13-24(33)35)27(37)32-23(12-19-10-21(29)14-22(30)11-19)26(36)25-28(38)34(17-31-25)15-18-7-5-4-6-8-18/h4-8,10-11,14,20,23,25-26,31,36H,2-3,9,12-13,15-17H2,1H3,(H,32,37)/t20?,23-,25-,26-/m0/s1
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| InChIKey |
APQJBIJMGKMXAX-NLFSCDDMSA-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