AH14588
700874-71-1 | LY2109761
Manufacturer: A2B Chem
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CatalogNumber
AH14588
ChemicalName
LY2109761
CasNumber
700874-71-1
MolecularFormula
C26H27N5O2
MolecularWeight
441.52487999999994
MdlNumber
MFCD12923354
Smiles
O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1
Complexity
632
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
6
RotatableBondCount
6
Xlogp3
2.8
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CatalogNumber: AH14588
ChemicalName: LY2109761
CasNumber: 700874-71-1
MolecularFormula: C26H27N5O2
MolecularWeight: 441.52487999999994
MdlNumber: MFCD12923354
Smiles: O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1
Complexity: 632
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 2.8
CatalogNumber:
AH14588
ChemicalName:
LY2109761
CasNumber:
700874-71-1
MolecularFormula:
C26H27N5O2
MolecularWeight:
441.52487999999994
MdlNumber:
MFCD12923354
Smiles:
O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1
Complexity:
632
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1CC(OC2C(C)/C=C/C=C/3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(C/C=C/2C)OC2(C3)CCC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC1CC(OC2C(C)/C=C/C=C/3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(C/C=C/2C)OC2(C3)CCC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1ccc(c(c1)OC(C)C)C1=N[C@@H]([C@@H](N1C(=O)N1CCNC(=O)C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
COc1ccc(c(c1)OC(C)C)C1=N[C@@H]([C@@H](N1C(=O)N1CCNC(=O)C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__