General Information of the Compound
| Compound ID |
CP0553597
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| Compound Name |
1-[5-[(S)-(4,5-diphenyl-1H-imidazol-2-yl)sulfinyl]pentyl]-4,5-dimethylpyrazole
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| Structure |
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| Formula |
C25H28N4OS
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| Molecular Weight |
432.593
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| Canonical SMILES |
Cc1cnn(CCCCC[S@+]([O-])c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1C
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| InChI |
InChI=1S/C25H28N4OS/c1-19-18-26-29(20(19)2)16-10-5-11-17-31(30)25-27-23(21-12-6-3-7-13-21)24(28-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,27,28)/t31-/m0/s1
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| InChIKey |
HNHRKQPELSOPME-HKBQPEDESA-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