AA83501
1619994-69-2 | Bromosporine
Manufacturer: A2B Chem
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CatalogNumber
AA83501
ChemicalName
Bromosporine
CasNumber
1619994-69-2
MolecularFormula
C17H20N6O4S
MolecularWeight
404.4435
MdlNumber
MFCD26142669
Smiles
CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C
Complexity
657
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
1.1
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CatalogNumber: AA83501
ChemicalName: Bromosporine
CasNumber: 1619994-69-2
MolecularFormula: C17H20N6O4S
MolecularWeight: 404.4435
MdlNumber: MFCD26142669
Smiles: CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C
Complexity: 657
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 1.1
CatalogNumber:
AA83501
ChemicalName:
Bromosporine
CasNumber:
1619994-69-2
MolecularFormula:
C17H20N6O4S
MolecularWeight:
404.4435
MdlNumber:
MFCD26142669
Smiles:
CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C
Complexity:
657
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
1.1
CatalogNumber: AA83502
ChemicalName: GSK2801
CasNumber: 1619994-68-1
MolecularFormula: C20H21NO4S
MolecularWeight: 371.4500399999999
MdlNumber: MFCD26142953
Smiles: CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C
Complexity: 599
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 4.2
CatalogNumber:
AA83502
ChemicalName:
GSK2801
CasNumber:
1619994-68-1
MolecularFormula:
C20H21NO4S
MolecularWeight:
371.4500399999999
MdlNumber:
MFCD26142953
Smiles:
CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C
Complexity:
599
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1nn(cc1B1OC(C(O1)(C)C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1nn(cc1B1OC(C(O1)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(S(=O)(=O)C)C1CNC1.OC(=O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(S(=O)(=O)C)C1CNC1.OC(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__