Cikloguanil

Cikloguanil
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	516-21-2^Y
ATC kod	P01BB02 (WHO)
PubChem	CID 9049
ChemSpider	8697^Y
UNII	26RM326WVN^Y
ChEMBL	CHEMBL747^Y
Hemijski podaci
Formula	C₁₁H₁₄ClN₅
Molarna masa	251,715
SMILES CC1(C)NC(=N)NC(=N)N1c2ccc(Cl)cc2
InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)^Y Key:QMNFFXRFOJIOKZ-UHFFFAOYSA-N^Y

Cikloguanil je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 251,715 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	4
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,6
Rastvorljivost^[2] (logS, log(mol/L))	-0,9
Polarna površina^[3] (PSA, Å²)	75,0

^ 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.