U-50488 METHANE SULFONATE

Search structure


Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	VQLPLYSROCPWFF-QZTJIDSGSA-N
Smile	CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1
InChI	InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H30Cl2N2O4S
Molecular Weight	465.44
AlogP	4.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	4.0
Polar Surface Area	23.55
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	24.0

Cross References

Resources	Reference
ChEBI	73358
ChEMBL	CHEMBL482811
PubChem	135349
SureChEMBL	SCHEMBL548872
ChEBI	73358
ChEMBL	CHEMBL441765
Guide to Pharmacology	1652
PubChem	135349
SureChEMBL	SCHEMBL548872
ZINC	ZINC000000643032

CONTENTS