Cc1cc(Oc2ccccc2)ccc1-c1cn([C@H]2CC[C@H](N3CCN(C)CC3)CC2)c2ncnc(N)c12
الاسم: 5-(2-methyl-4-phenoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILES: Cc1cc(Oc2ccccc2)ccc1-c1cn([C@H]2CC[C@H](N3CCN(C)CC3)CC2)c2ncnc(N)c12

Molecular Processing

Molecular formula
C30H36N6O
Molecular weight
496.66
Exact mass
496.2951
XLogP
5.51
TPSA
72.44
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
148.99

Supplementary Information

InChIKey: CJCOTDGWUKUPBH-UHFFFAOYSA-N
مرادفات
SCHEMBL6459733SCHEMBL6459736SCHEMBL6465574CJCOTDGWUKUPBH-YHBQERECSA-NTrans-5-(2-methyl-4-phenoxyphenyl)-7-[4-(4-methylpiperazino)-cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-aminetrans-5-(2-methyl-4-phenoxyphenyl)-7-[4-(4-methylpiperazino)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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