AE35909
1216744-19-2 | GSK4112
Manufacturer: A2B Chem
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CatalogNumber
AE35909
ChemicalName
GSK4112
CasNumber
1216744-19-2
MolecularFormula
C18H21ClN2O4S
MolecularWeight
396.8883399999999
MdlNumber
MFCD12027224
Smiles
O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl
Complexity
487
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
RotatableBondCount
8
Xlogp3
4.7
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CatalogNumber: AE35909
ChemicalName: GSK4112
CasNumber: 1216744-19-2
MolecularFormula: C18H21ClN2O4S
MolecularWeight: 396.8883399999999
MdlNumber: MFCD12027224
Smiles: O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl
Complexity: 487
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
RotatableBondCount: 8
Xlogp3: 4.7
CatalogNumber:
AE35909
ChemicalName:
GSK4112
CasNumber:
1216744-19-2
MolecularFormula:
C18H21ClN2O4S
MolecularWeight:
396.8883399999999
MdlNumber:
MFCD12027224
Smiles:
O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl
Complexity:
487
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
RotatableBondCount:
8
Xlogp3:
4.7
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(c1c(F)cccc1F)Nc1ccn(n1)Cc1c(F)cccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(c1c(F)cccc1F)Nc1ccn(n1)Cc1c(F)cccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCn1cnc2c1nc(N[C@@H](CO)CC)nc2NCc1ccc(s1)C
Complexity: __
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Smiles:
CCCn1cnc2c1nc(N[C@@H](CO)CC)nc2NCc1ccc(s1)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__