AE11245
1042672-97-8 | IRAK inhibitor 6
Manufacturer: A2B Chem
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CatalogNumber
AE11245
ChemicalName
IRAK inhibitor 6
CasNumber
1042672-97-8
MolecularFormula
C20H20N4O3S
MolecularWeight
396.46279999999996
MdlNumber
MFCD22124485
Smiles
COc1cc(ccc1NC(=O)c1csc(n1)c1cccnc1)N1CCOCC1
Complexity
520
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AE11245
ChemicalName: IRAK inhibitor 6
CasNumber: 1042672-97-8
MolecularFormula: C20H20N4O3S
MolecularWeight: 396.46279999999996
MdlNumber: MFCD22124485
Smiles: COc1cc(ccc1NC(=O)c1csc(n1)c1cccnc1)N1CCOCC1
Complexity: 520
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AE11245
ChemicalName:
IRAK inhibitor 6
CasNumber:
1042672-97-8
MolecularFormula:
C20H20N4O3S
MolecularWeight:
396.46279999999996
MdlNumber:
MFCD22124485
Smiles:
COc1cc(ccc1NC(=O)c1csc(n1)c1cccnc1)N1CCOCC1
Complexity:
520
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C.O
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: C[C@H](CCOC(=O)C[C@H](O)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C[C@H](CCOC(=O)C[C@H](O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__