AA42439
127294-70-6 | 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA42439
ChemicalName
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber
127294-70-6
MolecularFormula
C20H24FN3O4
MolecularWeight
389.4207
MdlNumber
MFCD00864925
Smiles
CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1
Complexity
668
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AA42439
ChemicalName: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber: 127294-70-6
MolecularFormula: C20H24FN3O4
MolecularWeight: 389.4207
MdlNumber: MFCD00864925
Smiles: CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1
Complexity: 668
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AA42439
ChemicalName:
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber:
127294-70-6
MolecularFormula:
C20H24FN3O4
MolecularWeight:
389.4207
MdlNumber:
MFCD00864925
Smiles:
CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1
Complexity:
668
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
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Smiles: Fc1ccc(cc1)CC1CCN(CC1)C[C@@H](c1ccc(cc1)Cl)O
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Smiles:
Fc1ccc(cc1)CC1CCN(CC1)C[C@@H](c1ccc(cc1)Cl)O
Complexity:
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Smiles: [cH-]1cccc1.[cH-]1cccc1.[cH-]1cccc1.[Nd+3]
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Smiles:
[cH-]1cccc1.[cH-]1cccc1.[cH-]1cccc1.[Nd+3]
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HeavyAtomCount:
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Smiles: CC[c-]1cccc1.CC[c-]1cccc1.[Fe+2]
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC[c-]1cccc1.CC[c-]1cccc1.[Fe+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__