AE35589
1227158-85-1 | Bay 87-2243
Manufacturer: A2B Chem
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CatalogNumber
AE35589
ChemicalName
Bay 87-2243
CasNumber
1227158-85-1
MolecularFormula
C26H26F3N7O2
MolecularWeight
525.5255
MdlNumber
MFCD28143915
Smiles
Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)c1onc(n1)c1ccc(cc1)OC(F)(F)F
Complexity
774
Covalently-bondedUnitCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
11
RotatableBondCount
7
Xlogp3
4.7
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CatalogNumber: AE35589
ChemicalName: Bay 87-2243
CasNumber: 1227158-85-1
MolecularFormula: C26H26F3N7O2
MolecularWeight: 525.5255
MdlNumber: MFCD28143915
Smiles: Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)c1onc(n1)c1ccc(cc1)OC(F)(F)F
Complexity: 774
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 11
RotatableBondCount: 7
Xlogp3: 4.7
CatalogNumber:
AE35589
ChemicalName:
Bay 87-2243
CasNumber:
1227158-85-1
MolecularFormula:
C26H26F3N7O2
MolecularWeight:
525.5255
MdlNumber:
MFCD28143915
Smiles:
Cc1cc(nn1Cc1ccnc(c1)N1CCN(CC1)C1CC1)c1onc(n1)c1ccc(cc1)OC(F)(F)F
Complexity:
774
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
11
RotatableBondCount:
7
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
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MolecularWeight: __
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Smiles: ClCC(=O)c1ccc(cc1)C[C@@H](CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccc(c(c1)Cl)OC(C)C
Complexity: __
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Smiles:
ClCC(=O)c1ccc(cc1)C[C@@H](CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccc(c(c1)Cl)OC(C)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCN(c1cc(Br)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCOCC1
Complexity: __
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Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
CCN(c1cc(Br)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CN(C(=O)c1cc(ccc1C)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN(C(=O)c1cc(ccc1C)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__