Drug Information

General Information
Drug ID	DR00555
Drug Name	MK-571
Synonyms	L-660771
Drug Type	Small molecular drug
Structure
Structure	3D MOL		2D MOL
Formula	C26H27ClN2O3S2
Canonical SMILES	CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O
InChI	InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1
InChIKey	AXUZQJFHDNNPFG-LHAVAQOQSA-N
Pharmaceutical Properties	Molecular Weight	515.1	Topological Polar Surface Area	121
	Heavy Atom Count	34	Rotatable Bond Count	11
	Hydrogen Bond Donor Count	1	Hydrogen Bond Acceptor Count	6
XLogP	5.3
PubChem CID	6509849
PubChem SID	103177757 ,103925954 ,114611256 ,11624344 ,135018129 ,137264022 ,14811473 ,152258915 ,160647761 ,164235357 ,164766111 ,172919830 ,178102814 ,185990401 ,198962625 ,198966715 ,223554776 ,226423091 ,252481554 ,43170034 ,50998907 ,57370844 ,7849443
TTD Drug ID	D07GTB

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