General Information of the Compound
| Compound ID |
CP0403121
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| Compound Name |
N-[2-(4-chlorophenyl)-2-methylpropyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C27H30ClNO3S
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| Molecular Weight |
484.061
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| Canonical SMILES |
CC(C)(CN(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H30ClNO3S/c1-26(2,19-7-9-20(28)10-8-19)18-29(21-11-13-27(14-12-21)31-15-16-32-27)25(30)23-17-33-24-6-4-3-5-22(23)24/h3-10,17,21H,11-16,18H2,1-2H3
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| InChIKey |
QOZBJOZYLSHBRL-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