General Information of the Compound
| Compound ID |
CP0415309
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| Compound Name |
1-[2-[2-[1-(2,4-dichlorophenoxy)ethyl]-1-benzothiophen-3-yl]ethyl]-N,N-dimethylpiperidin-4-amine
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| Structure |
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| Formula |
C25H30Cl2N2OS
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| Molecular Weight |
477.501
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| Canonical SMILES |
CC(Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C25H30Cl2N2OS/c1-17(30-23-9-8-18(26)16-22(23)27)25-21(20-6-4-5-7-24(20)31-25)12-15-29-13-10-19(11-14-29)28(2)3/h4-9,16-17,19H,10-15H2,1-3H3
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| InChIKey |
GWEOLVZRSLFSNU-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