이름: 1-[3-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-pyridinyl]-N-(3-fluorophenyl)piperidin-4-amine
SMILES:
CC1CN(CC(N1)C)CC2=CN=C(C=C2)C3=C(N=CC=C3)N4CCC(CC4)NC5=CC(=CC=C5)FMolecular Processing
Molecular formula
C28H35FN6
Molecular weight
474.63
Exact mass
474.2907
XLogP
4.55
TPSA
56.32
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
140.06
Supplementary Information
InChIKey: QDPLTCSJQVRUKS-UHFFFAOYSA-N
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