AB51794
93106-60-6 | 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51794
ChemicalName
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber
93106-60-6
MolecularFormula
C19H22FN3O3
MolecularWeight
359.3947
MdlNumber
MFCD00792463
Smiles
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
NscNumber
758616
Complexity
613
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
-0.2
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CatalogNumber: AB51794
ChemicalName: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber: 93106-60-6
MolecularFormula: C19H22FN3O3
MolecularWeight: 359.3947
MdlNumber: MFCD00792463
Smiles: CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
NscNumber: 758616
Complexity: 613
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -0.2
CatalogNumber:
AB51794
ChemicalName:
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber:
93106-60-6
MolecularFormula:
C19H22FN3O3
MolecularWeight:
359.3947
MdlNumber:
MFCD00792463
Smiles:
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
NscNumber:
758616
Complexity:
613
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-0.2
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Smiles: O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C.O.O.O
NscNumber: __
Complexity: 590
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Smiles:
O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C.O.O.O
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Complexity:
590
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Smiles: FC(c1ccn[nH]1)(F)F
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Smiles:
FC(c1ccn[nH]1)(F)F
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Smiles: CCCCCCCCc1ccc2c(c1)sc1c2sc2c1ccc(c2)CCCCCCCC
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Smiles:
CCCCCCCCc1ccc2c(c1)sc1c2sc2c1ccc(c2)CCCCCCCC
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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