General Information of the Compound
| Compound ID |
CP0574252
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| Compound Name |
3-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C21H26N4O3S
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| Molecular Weight |
414.531
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
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| InChI |
InChI=1S/C21H26N4O3S/c1-17-7-9-18(10-8-17)29(27,28)24-15-13-23(14-16-24)11-4-12-25-20-6-3-2-5-19(20)22-21(25)26/h2-3,5-10H,4,11-16H2,1H3,(H,22,26)
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| InChIKey |
FHULMXPFERJCQP-UHFFFAOYSA-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