General Information of the Compound
| Compound ID |
CP0501375
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| Compound Name |
(1-{2-[2-(4-Bromo-2-dimethylaminomethyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C27H36BrN3OS
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| Molecular Weight |
530.576
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| Canonical SMILES |
CN(C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C27H36BrN3OS/c1-29(2)18-20-17-21(28)9-10-25(20)32-19-27-24(23-7-5-6-8-26(23)33-27)13-16-31-14-11-22(12-15-31)30(3)4/h5-10,17,22H,11-16,18-19H2,1-4H3
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| InChIKey |
XHDNGRRICXKPOW-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