General Information of the Compound
| Compound ID |
CP0374360
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| Compound Name |
(+/-)-N-(1-(4-chlorophenyl)-3-methoxypropan-2-yl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C27H30ClNO4S
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| Molecular Weight |
500.06
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| Canonical SMILES |
COCC(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C27H30ClNO4S/c1-31-17-22(16-19-6-8-20(28)9-7-19)29(21-10-12-27(13-11-21)32-14-15-33-27)26(30)24-18-34-25-5-3-2-4-23(24)25/h2-9,18,21-22H,10-17H2,1H3
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| InChIKey |
LPZCIQFPQFGVNC-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