General Information of the Compound
| Compound ID |
CP0492085
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| Compound Name |
1-[2-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-benzothiophen-3-yl]ethyl]-N,N-dimethylpiperidin-4-amine
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| Structure |
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| Formula |
C25H28Cl2N2S
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| Molecular Weight |
459.486
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(\C=C\c3ccc(Cl)cc3Cl)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H28Cl2N2S/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/h3-10,17,20H,11-16H2,1-2H3/b10-8+
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| InChIKey |
MOIDQEZYJUNWCN-CSKARUKUSA-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