이름: N-(4-{4-Amino-7-[(1E)-3-(4-hydroxypiperidin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
SMILES:
COc1cc(-c2csc3c(/C=C/CN4CCC(O)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1CMolecular Processing
Molecular formula
C32H33N5O3S
Molecular weight
567.72
Exact mass
567.2304
XLogP
5.77
TPSA
105.64
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
167.61
Supplementary Information
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