General Information of the Compound
| Compound ID |
CP0508905
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| Compound Name |
(1-{2-[2-(2-tert-Butyl-4-methyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C29H40N2OS
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| Molecular Weight |
464.719
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3C(C)(C)C)sc3ccccc23)CC1
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| InChI |
InChI=1S/C29H40N2OS/c1-21-11-12-26(25(19-21)29(2,3)4)32-20-28-24(23-9-7-8-10-27(23)33-28)15-18-31-16-13-22(14-17-31)30(5)6/h7-12,19,22H,13-18,20H2,1-6H3
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| InChIKey |
ICTVHDVNJFMPKD-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