ACT-709478

Search structure


Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	3Z7U1U8Z9E

Structure


InChI Key	LSYANGLAZUZYFX-UHFFFAOYSA-N
Smile	N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1
InChI	InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H18F3N5O
Molecular Weight	425.41
AlogP	3.97
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	83.6
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Cross References

Resources	Reference
ChEMBL	CHEMBL4217292
DrugBank	DB16241
FDA SRS	3Z7U1U8Z9E
PubChem	118560618
SureChEMBL	SCHEMBL17316866

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