الاسم: N-[2-(Dimethylamino)ethyl]-N-ethyl-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide
SMILES:
CCN(CCN(C)C)C(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Molecular Processing
Molecular formula
C36H44N6O3
Molecular weight
608.79
Exact mass
608.3475
XLogP
5.41
TPSA
90.04
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.361
Molar refractivity
180.36
Supplementary Information
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