이름: 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
SMILES:
Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21Molecular Processing
Molecular formula
C28H28FN5O
Molecular weight
469.56
Exact mass
469.2278
XLogP
5.41
TPSA
54.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
136.97
Supplementary Information
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