General Information of the Compound
| Compound ID |
CP0178265
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| Compound Name |
2-methylsulfanyl-4-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]benzonitrile
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| Structure |
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| Formula |
C24H27N3O2S
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| Molecular Weight |
421.566
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| Canonical SMILES |
CSc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
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| InChI |
InChI=1S/C24H27N3O2S/c1-30-23-15-19(2-4-20(23)16-25)7-9-27-12-10-26(11-13-27)8-6-18-3-5-22-21(14-18)17-29-24(22)28/h2-5,14-15H,6-13,17H2,1H3
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| InChIKey |
HXVNLBDKDPCJNH-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