الاسم: N-[6-chloro-2-[3-(methylamino)pyrrolidin-1-yl]quinolin-5-yl]-2-cyclohexylacetamide
SMILES:
CNC1CCN(C1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC4CCCCC4Molecular Processing
Molecular formula
C22H29ClN4O
Molecular weight
400.95
Exact mass
400.203
XLogP
4.6
TPSA
57.26
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
116.25
Supplementary Information
InChIKey: PBEDBKAWEURFHD-UHFFFAOYSA-N
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