AE65026
1369761-01-2 | Cerdulatinib Hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AE65026
ChemicalName
Cerdulatinib Hydrochloride
CasNumber
1369761-01-2
MolecularFormula
C20H28ClN7O3S
MolecularWeight
481.99941999999976
MdlNumber
MFCD28348366
Smiles
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N.Cl
Complexity
711
Covalently-bondedUnitCount
2
HeavyAtomCount
32
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
8
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CatalogNumber: AE65026
ChemicalName: Cerdulatinib Hydrochloride
CasNumber: 1369761-01-2
MolecularFormula: C20H28ClN7O3S
MolecularWeight: 481.99941999999976
MdlNumber: MFCD28348366
Smiles: CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N.Cl
Complexity: 711
Covalently-bondedUnitCount: 2
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 8
CatalogNumber:
AE65026
ChemicalName:
Cerdulatinib Hydrochloride
CasNumber:
1369761-01-2
MolecularFormula:
C20H28ClN7O3S
MolecularWeight:
481.99941999999976
MdlNumber:
MFCD28348366
Smiles:
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N.Cl
Complexity:
711
Covalently-bondedUnitCount:
2
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(-c3c1onc3C)ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(-c3c1onc3C)ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])F
Complexity: __
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HydrogenBondDonorCount: __
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CatalogNumber:
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Smiles:
Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE65029
ChemicalName: CX-6258 Hydrochloride
CasNumber: 1353859-00-3
MolecularFormula: C26H25Cl2N3O3
MolecularWeight: 498.401
MdlNumber: MFCD26142938
Smiles: CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)Nc2c1cc(Cl)cc2.Cl
Complexity: 774
Covalently-bondedUnitCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AE65029
ChemicalName:
CX-6258 Hydrochloride
CasNumber:
1353859-00-3
MolecularFormula:
C26H25Cl2N3O3
MolecularWeight:
498.401
MdlNumber:
MFCD26142938
Smiles:
CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)Nc2c1cc(Cl)cc2.Cl
Complexity:
774
Covalently-bondedUnitCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3