AG20891
503614-91-3 | Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG20891
ChemicalName
Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate
CasNumber
503614-91-3
MolecularFormula
C27H28N4O5
MolecularWeight
488.535
MdlNumber
MFCD18072444
Smiles
CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC
Complexity
808
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
6
RotatableBondCount
7
Xlogp3
3.6
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CatalogNumber: AG20891
ChemicalName: Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate
CasNumber: 503614-91-3
MolecularFormula: C27H28N4O5
MolecularWeight: 488.535
MdlNumber: MFCD18072444
Smiles: CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC
Complexity: 808
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 6
RotatableBondCount: 7
Xlogp3: 3.6
CatalogNumber:
AG20891
ChemicalName:
Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate
CasNumber:
503614-91-3
MolecularFormula:
C27H28N4O5
MolecularWeight:
488.535
MdlNumber:
MFCD18072444
Smiles:
CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC
Complexity:
808
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
6
RotatableBondCount:
7
Xlogp3:
3.6
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Smiles: OC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O
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OC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O
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Smiles: CCCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)CN1CCCC1
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Smiles:
CCCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)CN1CCCC1
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Smiles: OC[C@H]1O[C@@H](O[C@]([C@H]2CC[C@@]3([C@@H]2[C@H](O)C[C@H]2[C@@]3(C)C[C@@H]([C@@H]3[C@]2(C)CC[C@@H](C3(C)C)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
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Smiles:
OC[C@H]1O[C@@H](O[C@]([C@H]2CC[C@@]3([C@@H]2[C@H](O)C[C@H]2[C@@]3(C)C[C@@H]([C@@H]3[C@]2(C)CC[C@@H](C3(C)C)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
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