AB22669
232931-57-6 | SJG-136
Manufacturer: A2B Chem
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CatalogNumber
AB22669
ChemicalName
SJG-136
CasNumber
232931-57-6
MolecularFormula
C31H32N4O6
MolecularWeight
556.609
MdlNumber
MFCD19443671
Smiles
COc1cc2c(cc1OCCCOc1cc3N=C[C@H]4N(C(=O)c3cc1OC)CC(=C)C4)N=C[C@H]1N(C2=O)CC(=C)C1
NscNumber
694501
Complexity
1020
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
41
HydrogenBondAcceptorCount
8
RotatableBondCount
8
Xlogp3
1.9
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CatalogNumber: AB22669
ChemicalName: SJG-136
CasNumber: 232931-57-6
MolecularFormula: C31H32N4O6
MolecularWeight: 556.609
MdlNumber: MFCD19443671
Smiles: COc1cc2c(cc1OCCCOc1cc3N=C[C@H]4N(C(=O)c3cc1OC)CC(=C)C4)N=C[C@H]1N(C2=O)CC(=C)C1
NscNumber: 694501
Complexity: 1020
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 8
RotatableBondCount: 8
Xlogp3: 1.9
CatalogNumber:
AB22669
ChemicalName:
SJG-136
CasNumber:
232931-57-6
MolecularFormula:
C31H32N4O6
MolecularWeight:
556.609
MdlNumber:
MFCD19443671
Smiles:
COc1cc2c(cc1OCCCOc1cc3N=C[C@H]4N(C(=O)c3cc1OC)CC(=C)C4)N=C[C@H]1N(C2=O)CC(=C)C1
NscNumber:
694501
Complexity:
1020
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
8
RotatableBondCount:
8
Xlogp3:
1.9
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Smiles: OP(=O)(O)O.OP(=O)(O)O.NCCc1cnc[nH]1.O
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Smiles:
OP(=O)(O)O.OP(=O)(O)O.NCCc1cnc[nH]1.O
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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: CC(CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)C.[S-]C#N
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Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)C.[S-]C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__