General Information of the Compound
| Compound ID |
CP0516105
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| Compound Name |
(1-{2-[2-(2-Bromo-4-methyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C25H31BrN2OS
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| Molecular Weight |
487.507
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3Br)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H31BrN2OS/c1-18-8-9-23(22(26)16-18)29-17-25-21(20-6-4-5-7-24(20)30-25)12-15-28-13-10-19(11-14-28)27(2)3/h4-9,16,19H,10-15,17H2,1-3H3
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| InChIKey |
JWDOLSUXPXUZTH-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