Name: Cis-5-(4-phenoxyphenyl)-7-(4-piperidinocyclohex-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CC[C@@H](N2CCCCC2)CC1Molecular Processing
Molecular formula
C29H33N5O
Molecular weight
467.62
Exact mass
467.2685
XLogP
6.44
TPSA
69.2
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
140.61
Supplementary Information
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