AA24378
1195768-06-9 | Dabrafenib mesylate
Manufacturer: A2B Chem
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CatalogNumber
AA24378
ChemicalName
Dabrafenib mesylate
CasNumber
1195768-06-9
MolecularFormula
C24H24F3N5O5S3
MolecularWeight
615.6681
MdlNumber
MFCD20922872
Smiles
CS(=O)(=O)O.Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity
910
Covalently-bondedUnitCount
2
HeavyAtomCount
40
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
3
RotatableBondCount
6
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CatalogNumber: AA24378
ChemicalName: Dabrafenib mesylate
CasNumber: 1195768-06-9
MolecularFormula: C24H24F3N5O5S3
MolecularWeight: 615.6681
MdlNumber: MFCD20922872
Smiles: CS(=O)(=O)O.Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity: 910
Covalently-bondedUnitCount: 2
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 3
RotatableBondCount: 6
CatalogNumber:
AA24378
ChemicalName:
Dabrafenib mesylate
CasNumber:
1195768-06-9
MolecularFormula:
C24H24F3N5O5S3
MolecularWeight:
615.6681
MdlNumber:
MFCD20922872
Smiles:
CS(=O)(=O)O.Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity:
910
Covalently-bondedUnitCount:
2
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
3
RotatableBondCount:
6
CatalogNumber: __
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Smiles: Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity: 817
Covalently-bondedUnitCount: __
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Smiles:
Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Complexity:
817
Covalently-bondedUnitCount:
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Smiles: CON1c2cc(O)ccc2[C@@]2(C1=O)C[C@@H]1N=C([C@@H]3C[C@H]2OC[C@H]13)CC
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Smiles:
CON1c2cc(O)ccc2[C@@]2(C1=O)C[C@@H]1N=C([C@@H]3C[C@H]2OC[C@H]13)CC
Complexity:
__
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Smiles: Clc1nn(c(c1C)C)c1ccccc1
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MolecularFormula:
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Smiles:
Clc1nn(c(c1C)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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