CN1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)I)N
الاسم: 3-iodo-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILES: CN1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)I)N

Molecular Processing

Molecular formula
C16H24IN7
Molecular weight
441.32
Exact mass
441.1138
XLogP
1.74
TPSA
76.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
102.82

Supplementary Information

InChIKey: NANPEAQRYIILSP-UHFFFAOYSA-N
مرادفات
SCHEMBL760440SCHEMBL760441SCHEMBL2960034SCHEMBL23847532NANPEAQRYIILSP-HAQNSBGRSA-NNANPEAQRYIILSP-TXEJJXNPSA-NNANPEAQRYIILSP-UHFFFAOYSA-N3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminecis-3-iodo-1-[4-(4-methylpiperazino)-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminecis-3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo [3,4-d]pyrimidin-4-aminecis-3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminecis-3-Iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-ylaminecis-3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]1h-pyrazolo[3,4-d]pyrimidin-4-aminetrans 3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminetrans-3-iodo-1-[4-(4-methylpiperazino)-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-aminetrans-3-Iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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