General Information of the Compound
| Compound ID |
CP0480543
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| Compound Name |
(1-{2-[2-(2,4-Dichloro-phenoxymethyl)-benzo[b]thiophen-3-yl]-propyl}-piperidin-4-yl)-dimethyl-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(CN1CCC(CC1)N(C)C)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12
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| InChI |
InChI=1S/C25H30Cl2N2OS/c1-17(15-29-12-10-19(11-13-29)28(2)3)25-20-6-4-5-7-23(20)31-24(25)16-30-22-9-8-18(26)14-21(22)27/h4-9,14,17,19H,10-13,15-16H2,1-3H3
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| InChIKey |
VCNDHWSJWTZENG-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