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148440-81-7 | 1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-5-yl)-, (2Z)-2-butenedioate (1:?)
CAS No: 148440-81-7 Catalog No: AG001KXQ MDL No:
Product Description
Catalog Number:
AG001KXQ
Chemical Name:
1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-5-yl)-, (2Z)-2-butenedioate (1:?)
CAS Number:
148440-81-7
Molecular Formula:
C19H28N4O4S
Molecular Weight:
408.5150
IUPAC Name:
(Z)-but-2-enedioic acid;N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
InChI:
InChI=1S/C15H24N4S.C4H4O4/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14;5-3(6)1-2-4(7)8/h10-13H,1-9H2,(H,16,17)(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
WUYMIKDBRCCYGE-BTJKTKAUSA-N
SMILES:
S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1.OC(=O)/C=C\C(=O)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
408.183g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
408.517g/mol
Monoisotopic Mass:
408.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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