General Information of the Compound
| Compound ID |
CP0116124
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| Compound Name |
ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
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| Synonyms |
4ntj
6-(4-{[(Benzylsulfonyl)amino]carbonyl}piperidin-1-yl)-5-cyano-2-methylnicotinic acid ethyl ester
919351-41-0
AGN-PC-046SGK
AKOS030211015
AZD 1283
AZD-1283
AZD1283
BCP10803
BDBM50439277
CHEMBL2419490
CS-3256
EX-A1805
Ethyl 6-{4-[(Benzylsulfonyl)carbamoyl]piperidin-1-Yl}-5-Cyano-2-Methylpyridine-3-Carboxylate
GTPL7360
HY-15799
MolPort-046-033-568
NCGC00390624-01
NEMHKCNXXRQYRF-UHFFFAOYSA-N
SCHEMBL3216200
ZINC96283078
ethyl 6-(4-((benzylsulfonyl)carbamoyl)piperidin-1-yl)-5-cyano-2-methylnicotinate
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| Structure |
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| Formula |
C23H26N4O5S
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| Molecular Weight |
470.551
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| Canonical SMILES |
CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)
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| InChIKey |
NEMHKCNXXRQYRF-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
Clinical Information about the Compound