General Information of the Compound
| Compound ID |
CP0208880
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| Compound Name |
N-[(2S)-2-[5-(3,5-dimethylphenyl)-2-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6H-thieno[2,3-b]pyrrol-4-yl]propyl]-3-phenylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C36H44N4O2S
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| Molecular Weight |
596.841
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| Canonical SMILES |
C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1CCCC1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C36H44N4O2S/c1-23-17-24(2)19-28(18-23)32-31(25(3)21-37-35(42)40-16-13-27(22-40)26-11-7-6-8-12-26)29-20-30(43-33(29)38-32)36(4,5)34(41)39-14-9-10-15-39/h6-8,11-12,17-20,25,27,38H,9-10,13-16,21-22H2,1-5H3,(H,37,42)/t25-,27?/m1/s1
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| InChIKey |
WNYZARSRUFPDOY-CSMDKSQMSA-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