TM-38837

TM-38837
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	none
PubChem	CID 49779607
Hemijski podaci
Formula	C₃₀H₂₅Cl₂F₃N₄OS
Molarna masa	617,512
SMILES CCc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(C#Cc4ccc(cc4)C(F)(F)F)s3)C(=O)NN5CCCCC5
InChI InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40)^Y Key:VQOCBFYUDSBDCZ-UHFFFAOYSA-N^Y

TM-38837 je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 617,512 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	9,7
Rastvorljivost^[2] (logS, log(mol/L))	-12,3
Polarna površina^[3] (PSA, Å²)	78,4

^ 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.