SER-601

SER-601
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	1048038-90-9^Y
ATC kod	None
PubChem	CID 25034551
ChemSpider	24606023^Y
ChEMBL	CHEMBL502276^Y
Hemijski podaci
Formula	C₂₈H₃₈N₂O₂
Molarna masa	434,614
SMILES CCCCCN1C=C(\C(=N\C23CC4CC(CC(C4)C2)C3)\O)C(=O)c5cc(ccc15)C(C)C
InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)^Y Key:KUMKLUDNETVLDS-UHFFFAOYSA-N^Y

SER-601 je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 434,614 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	6,5
Rastvorljivost^[2] (logS, log(mol/L))	-7,5
Polarna površina^[3] (PSA, Å²)	52,9

^ 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.