이름: [7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)-methanone
SMILES:
Cc1[nH]c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCN(C)CC3)cc2c1CMolecular Processing
Molecular formula
C24H29N5O
Molecular weight
403.53
Exact mass
403.2372
XLogP
3.13
TPSA
55.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
120.16
Supplementary Information
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