AB52353
379231-04-6 | Saracatinib
Manufacturer: A2B Chem
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CatalogNumber
AB52353
ChemicalName
Saracatinib
CasNumber
379231-04-6
MolecularFormula
C27H32ClN5O5
MolecularWeight
542.0265
MdlNumber
MFCD09832698
Smiles
CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2
Complexity
743
Covalently-bondedUnitCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
4.1
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CatalogNumber: AB52353
ChemicalName: Saracatinib
CasNumber: 379231-04-6
MolecularFormula: C27H32ClN5O5
MolecularWeight: 542.0265
MdlNumber: MFCD09832698
Smiles: CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2
Complexity: 743
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.1
CatalogNumber:
AB52353
ChemicalName:
Saracatinib
CasNumber:
379231-04-6
MolecularFormula:
C27H32ClN5O5
MolecularWeight:
542.0265
MdlNumber:
MFCD09832698
Smiles:
CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2
Complexity:
743
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(Cl)ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(Cl)ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52355
ChemicalName: 3-Bromo-2-nitrophenol
CasNumber: 76361-99-4
MolecularFormula: C6H4BrNO3
MolecularWeight: 218.0049
MdlNumber: MFCD08445675
Smiles: [O-][N+](=O)c1c(O)cccc1Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AB52355
ChemicalName:
3-Bromo-2-nitrophenol
CasNumber:
76361-99-4
MolecularFormula:
C6H4BrNO3
MolecularWeight:
218.0049
MdlNumber:
MFCD08445675
Smiles:
[O-][N+](=O)c1c(O)cccc1Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccc2c(c1)nccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc2c(c1)nccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__