AE11234
1086062-66-9 | Gsk2126458
Manufacturer: A2B Chem
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CatalogNumber
AE11234
ChemicalName
Gsk2126458
CasNumber
1086062-66-9
MolecularFormula
C25H17F2N5O3S
MolecularWeight
505.496
MdlNumber
MFCD16038929
Smiles
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1
Complexity
833
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3.3
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CatalogNumber: AE11234
ChemicalName: Gsk2126458
CasNumber: 1086062-66-9
MolecularFormula: C25H17F2N5O3S
MolecularWeight: 505.496
MdlNumber: MFCD16038929
Smiles: COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1
Complexity: 833
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.3
CatalogNumber:
AE11234
ChemicalName:
Gsk2126458
CasNumber:
1086062-66-9
MolecularFormula:
C25H17F2N5O3S
MolecularWeight:
505.496
MdlNumber:
MFCD16038929
Smiles:
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1
Complexity:
833
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Complexity: __
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Smiles:
NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCCC[C@@H](C(C(=O)NC1CC1)O)N.Cl
Complexity: __
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Smiles:
CCCC[C@@H](C(C(=O)NC1CC1)O)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: Fc1cccc(c1)c1ccc(cn1)C(=O)NC1CCN(CC1)CC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1)c1ccc(cn1)C(=O)NC1CCN(CC1)CC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__