AE11440
1082949-68-5 | Ly2584702 tosylate
Manufacturer: A2B Chem
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CatalogNumber
AE11440
ChemicalName
Ly2584702 tosylate
CasNumber
1082949-68-5
MolecularFormula
C28H27F4N7O3S
MolecularWeight
617.6176927999999
MdlNumber
MFCD29054739
Smiles
Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F.Cc1ccc(cc1)S(=O)(=O)O
Complexity
851
Covalently-bondedUnitCount
2
HeavyAtomCount
43
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AE11440
ChemicalName: Ly2584702 tosylate
CasNumber: 1082949-68-5
MolecularFormula: C28H27F4N7O3S
MolecularWeight: 617.6176927999999
MdlNumber: MFCD29054739
Smiles: Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F.Cc1ccc(cc1)S(=O)(=O)O
Complexity: 851
Covalently-bondedUnitCount: 2
HeavyAtomCount: 43
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AE11440
ChemicalName:
Ly2584702 tosylate
CasNumber:
1082949-68-5
MolecularFormula:
C28H27F4N7O3S
MolecularWeight:
617.6176927999999
MdlNumber:
MFCD29054739
Smiles:
Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F.Cc1ccc(cc1)S(=O)(=O)O
Complexity:
851
Covalently-bondedUnitCount:
2
HeavyAtomCount:
43
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Smiles:
COc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O=C1CCC(C(=O)N1)(C1CCN(CC1)Cc1ccc(cc1)I)c1ccccc1
Complexity: __
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Smiles:
O=C1CCC(C(=O)N1)(C1CCN(CC1)Cc1ccc(cc1)I)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=CC[C@@H](C1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=CC[C@@H](C1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__