General Information of the Compound
| Compound ID |
CP0471967
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| Compound Name |
(+/-)-N-(1-(4-chlorophenyl)-3-hydroxypropan-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 |
C26H28ClNO4S
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| Molecular Weight |
486.033
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| Canonical SMILES |
OCC(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C26H28ClNO4S/c27-19-7-5-18(6-8-19)15-21(16-29)28(20-9-11-26(12-10-20)31-13-14-32-26)25(30)23-17-33-24-4-2-1-3-22(23)24/h1-8,17,20-21,29H,9-16H2
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| InChIKey |
VTZPWCWJBVZCSF-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