General Information of the Compound
| Compound ID |
CP0354505
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| Compound Name |
3-[(1S)-1-(1,6-dimethylbenzimidazol-2-yl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C35H41N5O3
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| Molecular Weight |
579.745
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| Canonical SMILES |
CC(C)CN1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1
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| InChI |
InChI=1S/C35H41N5O3/c1-24(2)22-38-18-16-26(17-19-38)21-32(34-36-30-15-10-25(3)20-31(30)37(34)4)40-33(41)23-39(35(40)42)27-11-13-29(14-12-27)43-28-8-6-5-7-9-28/h5-15,20,24,26,32H,16-19,21-23H2,1-4H3/t32-/m0/s1
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| InChIKey |
PATGMJSXLAKCMY-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