AE11176
1138549-36-6 | CX-5461
Manufacturer: A2B Chem
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CatalogNumber
AE11176
ChemicalName
CX-5461
CasNumber
1138549-36-6
MolecularFormula
C27H27N7O2S
MolecularWeight
513.614
MdlNumber
MFCD21609261
Smiles
CN1CCCN(CC1)c1ccc2c(n1)n1c(c(c2=O)C(=O)NCc2cnc(cn2)C)sc2c1cccc2
Complexity
915
Covalently-bondedUnitCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AE11176
ChemicalName: CX-5461
CasNumber: 1138549-36-6
MolecularFormula: C27H27N7O2S
MolecularWeight: 513.614
MdlNumber: MFCD21609261
Smiles: CN1CCCN(CC1)c1ccc2c(n1)n1c(c(c2=O)C(=O)NCc2cnc(cn2)C)sc2c1cccc2
Complexity: 915
Covalently-bondedUnitCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AE11176
ChemicalName:
CX-5461
CasNumber:
1138549-36-6
MolecularFormula:
C27H27N7O2S
MolecularWeight:
513.614
MdlNumber:
MFCD21609261
Smiles:
CN1CCCN(CC1)c1ccc2c(n1)n1c(c(c2=O)C(=O)NCc2cnc(cn2)C)sc2c1cccc2
Complexity:
915
Covalently-bondedUnitCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)Nc2c1cc(Cl)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)Nc2c1cc(Cl)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondDonorCount: __
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Smiles:
COC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: CCOC(=O)C[C@@H]1CC[C@H](CC1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C[C@@H]1CC[C@H](CC1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__