Linopirdin

Linopirdin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	105431-72-9^Y
ATC kod	N06BX09 (WHO)
PubChem	CID 3932
IUPHAR/BPS	2599
ChemSpider	3795^Y
UNII	I5TB3NZ94T^Y
KEGG	D04741^Y
ChEMBL	CHEMBL319111^Y
Hemijski podaci
Formula	C₂₆H₂₁N₃O
Molarna masa	391,464
SMILES O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
InChI InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2^Y Key:YEJCDKJIEMIWRQ-UHFFFAOYSA-N^Y

Linopirdin je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 391,464 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-7,1
Polarna površina^[3] (PSA, Å²)	46,1

^ 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.