General Information of the Compound
| Compound ID |
CP0510088
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| Compound Name |
(1-{2-[2-(2,4-Dichloro-phenylethynyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C25H26Cl2N2S
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| Molecular Weight |
457.47
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(sc3ccccc23)C#Cc2ccc(Cl)cc2Cl)CC1
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| InChI |
InChI=1S/C25H26Cl2N2S/c1-28(2)20-11-14-29(15-12-20)16-13-22-21-5-3-4-6-24(21)30-25(22)10-8-18-7-9-19(26)17-23(18)27/h3-7,9,17,20H,11-16H2,1-2H3
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| InChIKey |
FXXMMSPXYDJMGW-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