General Information of the Compound
| Compound ID |
CP0127237
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| Compound Name |
N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1-benzothiophene-2-carboxamide
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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 |
COc1ccccc1N1CCN(C\C=C\CNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C24H27N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-11,18H,12-17H2,1H3,(H,25,28)/b7-6+
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| InChIKey |
CECKJAHVLJLQBE-VOTSOKGWSA-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