General Information of the Compound
| Compound ID |
CP0047599
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-amide
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| Structure |
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| Formula |
C23H23Cl2N3OS
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| Molecular Weight |
460.43
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| Canonical SMILES |
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
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| InChI |
InChI=1S/C23H23Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+
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| InChIKey |
KKTITOSWJRVWOF-ONEGZZNKSA-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