General Information of the Compound
| Compound ID |
CP0096658
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| Compound Name |
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C24H29N3O3S
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| Molecular Weight |
439.581
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
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| InChIKey |
OUNYCNQDFAUREF-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