General Information of the Compound
| Compound ID |
CP0535747
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| Compound Name |
9-[3-(1H-benzimidazol-2-yl)propyl]-6-methylsulfonyl-1,2,3,4-tetrahydrocarbazole
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| Structure |
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| Formula |
C23H25N3O2S
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| Molecular Weight |
407.539
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| Canonical SMILES |
CS(=O)(=O)c1ccc2n(CCCc3nc4ccccc4[nH]3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C23H25N3O2S/c1-29(27,28)16-12-13-22-18(15-16)17-7-2-5-10-21(17)26(22)14-6-11-23-24-19-8-3-4-9-20(19)25-23/h3-4,8-9,12-13,15H,2,5-7,10-11,14H2,1H3,(H,24,25)
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| InChIKey |
GGZQWOBXMBYINN-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