AF60847
355025-24-0 | Ki16425
Manufacturer: A2B Chem
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CatalogNumber
AF60847
ChemicalName
Ki16425
CasNumber
355025-24-0
MolecularFormula
C23H23ClN2O5S
MolecularWeight
474.9571
MdlNumber
MFCD06798341
Smiles
OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C
Complexity
619
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
Xlogp3
4.5
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CatalogNumber: AF60847
ChemicalName: Ki16425
CasNumber: 355025-24-0
MolecularFormula: C23H23ClN2O5S
MolecularWeight: 474.9571
MdlNumber: MFCD06798341
Smiles: OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C
Complexity: 619
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.5
CatalogNumber:
AF60847
ChemicalName:
Ki16425
CasNumber:
355025-24-0
MolecularFormula:
C23H23ClN2O5S
MolecularWeight:
474.9571
MdlNumber:
MFCD06798341
Smiles:
OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C
Complexity:
619
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.5
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Smiles: c1ccc(nc1)c1n[nH]cc1c1ccnc2c1cccc2
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
c1ccc(nc1)c1n[nH]cc1c1ccnc2c1cccc2
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)ccs2
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)ccs2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__