General Information of the Compound
| Compound ID |
CP0431073
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| Compound Name |
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
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| Structure |
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| Formula |
C26H34N2O3S
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| Molecular Weight |
454.636
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| Canonical SMILES |
COc1ccc(cc1)C1N(CCc2sccc12)C(=O)CN(C(C)C)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C26H34N2O3S/c1-18(2)28(26(30)20-7-5-4-6-8-20)17-24(29)27-15-13-23-22(14-16-32-23)25(27)19-9-11-21(31-3)12-10-19/h9-12,14,16,18,20,25H,4-8,13,15,17H2,1-3H3
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| InChIKey |
VTLLAVPXORKAAO-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