443
1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one
Find entries where: 443
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one |
Identifiers | 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-propanoyl]piperidin-4-yl]-1,3-diazinan-2-one |
Formula | C22 H26 Cl N3 O5 S |
Molecular Weight | 479.977 |
Type | NON-POLYMER |
Isomeric SMILES | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O |
InChI | InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1 |
InChIKey | GEHAEMCVKDPMKO-HXUWFJFHSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 58 |
Chiral Atom Count | 1 |
Bond Count | 61 |
Aromatic Bond Count | 11 |
Drug Info: DrugBank
DrugBank ID | DB11984 |
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Name | Letaxaban |
Groups | investigational |
Description | Letaxaban has been used in trials studying the treatment and prevention of Venous Thromboembolism and Acute Coronary Syndrome. |
Synonyms |
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Categories |
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CAS number | 870262-90-1 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1095032 |
PubChem | 11641515 |
ChEMBL | CHEMBL1095032 |