General Information of the Compound
| Compound ID |
CP0514742
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| Compound Name |
N-[2-(2-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C25H26ClNO3S
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| Molecular Weight |
456.007
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| Canonical SMILES |
Clc1ccccc1CCN(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C25H26ClNO3S/c26-22-7-3-1-5-18(22)11-14-27(19-9-12-25(13-10-19)29-15-16-30-25)24(28)21-17-31-23-8-4-2-6-20(21)23/h1-8,17,19H,9-16H2
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| InChIKey |
JPDLNRNPIGJAOY-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