BLZ945

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7W3V82OQ0P

Structure
InChI Key ADZBMFGQQWPHMJ-RHSMWYFYSA-N
Smile CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1
InChI
InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N4O3S
Molecular Weight 398.49
AlogP 3.56
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 96.37
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL4227505
FDA SRS 7W3V82OQ0P
Guide to Pharmacology 8250
SureChEMBL SCHEMBL2676695
ZINC ZINC000068203100
CONTENTS