이름: 1-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-3-[1-(piperidin-4-yloxy)-isoquinolin-4-yl]-urea dihydrochloride
SMILES:
Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)Nc2cnc(OC3CCNCC3)c3ccccc23)cc1.Cl.ClMolecular Processing
Molecular formula
C29H34Cl2N6O2
Molecular weight
569.54
Exact mass
568.212
XLogP
6.4
TPSA
93.1
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.345
Molar refractivity
160.29
Supplementary Information
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