AE08101
103177-37-3 | Pranlukast
Manufacturer: A2B Chem
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CatalogNumber
AE08101
ChemicalName
Pranlukast
CasNumber
103177-37-3
MolecularFormula
C27H23N5O4
MolecularWeight
481.5026
MdlNumber
MFCD00864631
Smiles
O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1
Complexity
778
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
4.2
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CatalogNumber: AE08101
ChemicalName: Pranlukast
CasNumber: 103177-37-3
MolecularFormula: C27H23N5O4
MolecularWeight: 481.5026
MdlNumber: MFCD00864631
Smiles: O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1
Complexity: 778
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 4.2
CatalogNumber:
AE08101
ChemicalName:
Pranlukast
CasNumber:
103177-37-3
MolecularFormula:
C27H23N5O4
MolecularWeight:
481.5026
MdlNumber:
MFCD00864631
Smiles:
O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1
Complexity:
778
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
4.2
CatalogNumber: __
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Smiles: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)[O-])O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)[O-])O.[Na+]
Complexity:
__
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CCC1CCC(NC1)C
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Smiles:
CCC1CCC(NC1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: ClC(=O)c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__