General Information of the Compound
| Compound ID |
CP0431580
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| Compound Name |
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C24H26N2O3S
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| Molecular Weight |
422.55
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| Canonical SMILES |
O=C(N(CCc1ccccn1)C1CCC2(CC1)OCCO2)c1csc2ccccc12
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| InChI |
InChI=1S/C24H26N2O3S/c27-23(21-17-30-22-7-2-1-6-20(21)22)26(14-10-18-5-3-4-13-25-18)19-8-11-24(12-9-19)28-15-16-29-24/h1-7,13,17,19H,8-12,14-16H2
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| InChIKey |
KGXIRYLCSRTUEO-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