الاسم: (1-{6-[5-(4-{6-[2-(4-Cyano-pyrrolidin-2-yl)-3H-imidazol-4-yl]-naphthalen-2-yl}-phenyl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester-tris-hydrochloride
SMILES:
COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CC(C#N)CN6)[nH]5)ccc4c3)cc2)[nH]1)C(C)C.Cl.Cl.ClMolecular Processing
Molecular formula
C40H45Cl3N8O3
Molecular weight
792.21
Exact mass
790.268
XLogP
8.16
TPSA
151.82
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
54
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
4
Fraction Csp3
0.375
Molar refractivity
215.66
Supplementary Information
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