General Information of the Compound
| Compound ID |
CP0579322
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| Compound Name |
3-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C20H23N5O5S
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| Molecular Weight |
445.501
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
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| InChI |
InChI=1S/C20H23N5O5S/c26-20-21-18-4-1-2-5-19(18)24(20)11-3-10-22-12-14-23(15-13-22)31(29,30)17-8-6-16(7-9-17)25(27)28/h1-2,4-9H,3,10-15H2,(H,21,26)
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| InChIKey |
YWKACMSTPBMOET-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