AA42240
127191-97-3 | KN-62
Manufacturer: A2B Chem
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CatalogNumber
AA42240
ChemicalName
KN-62
CasNumber
127191-97-3
MolecularFormula
C38H35N5O6S2
MolecularWeight
721.8444
MdlNumber
MFCD00083180
Smiles
O=C([C@H](Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)NCS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1
Complexity
1370
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
51
HydrogenBondAcceptorCount
10
RotatableBondCount
10
Xlogp3
5.6
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CatalogNumber: AA42240
ChemicalName: KN-62
CasNumber: 127191-97-3
MolecularFormula: C38H35N5O6S2
MolecularWeight: 721.8444
MdlNumber: MFCD00083180
Smiles: O=C([C@H](Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)NCS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1
Complexity: 1370
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 10
RotatableBondCount: 10
Xlogp3: 5.6
CatalogNumber:
AA42240
ChemicalName:
KN-62
CasNumber:
127191-97-3
MolecularFormula:
C38H35N5O6S2
MolecularWeight:
721.8444
MdlNumber:
MFCD00083180
Smiles:
O=C([C@H](Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)NCS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1
Complexity:
1370
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
10
RotatableBondCount:
10
Xlogp3:
5.6
CatalogNumber: __
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Smiles: Cc1cccc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Cc1cccc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=S1(=O)C[C@@]23[C@]4(N1O4)C([C@H](C3(C)C)CC2)(Cl)Cl
Complexity: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=S1(=O)C[C@@]23[C@]4(N1O4)C([C@H](C3(C)C)CC2)(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: OC[C@H]1C[C@]1(N)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@H]1C[C@]1(N)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__