AI10683
1160521-51-6 | 7-(4-Methoxybenzyl)-5-methyl-3-(phenylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Manufacturer: A2B Chem
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CatalogNumber
AI10683
ChemicalName
7-(4-Methoxybenzyl)-5-methyl-3-(phenylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CasNumber
1160521-51-6
MolecularFormula
C20H19N5O3
MolecularWeight
377.3966
MdlNumber
MFCD29917013
Smiles
COc1ccc(cc1)Cn1c2n[nH]c(c2c(=O)n(c1=O)C)Nc1ccccc1
Complexity
574
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AI10683
ChemicalName: 7-(4-Methoxybenzyl)-5-methyl-3-(phenylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CasNumber: 1160521-51-6
MolecularFormula: C20H19N5O3
MolecularWeight: 377.3966
MdlNumber: MFCD29917013
Smiles: COc1ccc(cc1)Cn1c2n[nH]c(c2c(=O)n(c1=O)C)Nc1ccccc1
Complexity: 574
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AI10683
ChemicalName:
7-(4-Methoxybenzyl)-5-methyl-3-(phenylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CasNumber:
1160521-51-6
MolecularFormula:
C20H19N5O3
MolecularWeight:
377.3966
MdlNumber:
MFCD29917013
Smiles:
COc1ccc(cc1)Cn1c2n[nH]c(c2c(=O)n(c1=O)C)Nc1ccccc1
Complexity:
574
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
3.3
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Smiles: Clc1cc(F)c(c(c1)Br)F
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Clc1cc(F)c(c(c1)Br)F
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Smiles: Fc1cc(Cl)c(cc1Cl)Br
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Fc1cc(Cl)c(cc1Cl)Br
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Smiles: Brc1cc(C)c(c(c1)Cl)F
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Smiles:
Brc1cc(C)c(c(c1)Cl)F
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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