Structure

InChI Key HJVGDXBEMFHGKI-BQAIUKQQSA-N
Smile COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1.Cl
InChI
InChI=1S/C23H23ClN6O2.ClH/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30;/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28);1H/t23-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24Cl2N6O2
Molecular Weight 487.39
AlogP 4.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 88.93
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Orexin receptor 1 antagonist

Indications

Mesh Heading Maximum Phase Mesh ID Reference