General Information of the Compound
| Compound ID |
CP0198590
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| Compound Name |
4-[(2S)-2-(1,6-dimethylbenzimidazol-2-yl)-2-[2,5-dioxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]ethyl]-N-propan-2-ylbenzamide
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| Structure |
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| Formula |
C36H35N5O4
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| Molecular Weight |
601.707
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| Canonical SMILES |
CC(C)NC(=O)c1ccc(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)cc1
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| InChI |
InChI=1S/C36H35N5O4/c1-23(2)37-35(43)26-13-11-25(12-14-26)21-32(34-38-30-19-10-24(3)20-31(30)39(34)4)41-33(42)22-40(36(41)44)27-15-17-29(18-16-27)45-28-8-6-5-7-9-28/h5-20,23,32H,21-22H2,1-4H3,(H,37,43)/t32-/m0/s1
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| InChIKey |
JWHNDKULDYVLMW-YTTGMZPUSA-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