AB53168
1352608-82-2 | EW 7197
Manufacturer: A2B Chem
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CatalogNumber
AB53168
ChemicalName
EW 7197
CasNumber
1352608-82-2
MolecularFormula
C22H18FN7
MolecularWeight
399.4236232
MdlNumber
MFCD28348363
Smiles
Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
Complexity
566
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
3.2
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CatalogNumber: AB53168
ChemicalName: EW 7197
CasNumber: 1352608-82-2
MolecularFormula: C22H18FN7
MolecularWeight: 399.4236232
MdlNumber: MFCD28348363
Smiles: Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
Complexity: 566
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AB53168
ChemicalName:
EW 7197
CasNumber:
1352608-82-2
MolecularFormula:
C22H18FN7
MolecularWeight:
399.4236232
MdlNumber:
MFCD28348363
Smiles:
Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
Complexity:
566
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53170
ChemicalName: RO4929097
CasNumber: 847925-91-1
MolecularFormula: C22H20F5N3O3
MolecularWeight: 469.4045
MdlNumber: MFCD18384976
Smiles: O=C1Nc2ccccc2-c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2
Complexity: 771
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AB53170
ChemicalName:
RO4929097
CasNumber:
847925-91-1
MolecularFormula:
C22H20F5N3O3
MolecularWeight:
469.4045
MdlNumber:
MFCD18384976
Smiles:
O=C1Nc2ccccc2-c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2
Complexity:
771
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(SN1C(=O)c2c(C1=O)cccc2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(SN1C(=O)c2c(C1=O)cccc2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__