AD20379
509093-47-4 | IRAK-1-4 Inhibitor I
Manufacturer: A2B Chem
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CatalogNumber
AD20379
ChemicalName
IRAK-1-4 Inhibitor I
CasNumber
509093-47-4
MolecularFormula
C20H21N5O4
MolecularWeight
395.4118399999999
MdlNumber
MFCD09752602
Smiles
O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2
Complexity
580
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2
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CatalogNumber: AD20379
ChemicalName: IRAK-1-4 Inhibitor I
CasNumber: 509093-47-4
MolecularFormula: C20H21N5O4
MolecularWeight: 395.4118399999999
MdlNumber: MFCD09752602
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2
Complexity: 580
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AD20379
ChemicalName:
IRAK-1-4 Inhibitor I
CasNumber:
509093-47-4
MolecularFormula:
C20H21N5O4
MolecularWeight:
395.4118399999999
MdlNumber:
MFCD09752602
Smiles:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2
Complexity:
580
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2
CatalogNumber: __
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Smiles: OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(cc1)c1cccc(n1)c1ccc(cc1)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(cc1)c1cccc(n1)c1ccc(cc1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__