CP-93,129

CP-93,129
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	127792-75-0^Y
ATC kod	None
PubChem	CID 124007
ChemSpider	110524^Y
Hemijski podaci
Formula	C₁₂H₁₁N₃O
Molarna masa	213,235
SMILES O=C1C=CC2=NC=C(C3=CCNCC3)C2=N1
InChI InChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2^Y Key:KXFDXSLJWQLUPK-UHFFFAOYSA-N^Y

CP-93,129 je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 213,235 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	0,4
Rastvorljivost^[2] (logS, log(mol/L))	-2,5
Polarna površina^[3] (PSA, Å²)	53,8

^ 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.