General Information of the Compound
| Compound ID |
CP0154222
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| Compound Name |
ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate
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| Structure |
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| Formula |
C24H28N4O6S
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| Molecular Weight |
500.577
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| Canonical SMILES |
CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29)
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| InChIKey |
QSJSWBPRIPCKFT-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