Suproklon

Suproklon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	77590-92-2^Y
ATC kod	none
PubChem	CID 53696
ChemSpider	48481^Y
UNII	J4AM5D708G^Y
KEGG	D05975^Y
Hemijski podaci
Formula	C₂₂H₂₂ClN₅O₄S₂
Molarna masa	520,024
SMILES CCC(=O)N1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5ccc(Cl)nc5n4
InChI InChI=1S/C22H22ClN5O4S2/c1-2-16(29)26-7-9-27(10-8-26)22(31)32-21-18-17(33-11-12-34-18)20(30)28(21)15-6-4-13-3-5-14(23)24-19(13)25-15/h3-6,21H,2,7-12H2,1H3^Y Key:IBAUKGNDWVSETP-UHFFFAOYSA-N^Y

Suproklon je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 520,024 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,6
Rastvorljivost^[2] (logS, log(mol/L))	-4,0
Polarna površina^[3] (PSA, Å²)	146,5

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.