AI57136
850649-61-5 | Alogliptin
Manufacturer: A2B Chem
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CatalogNumber
AI57136
ChemicalName
Alogliptin
CasNumber
850649-61-5
MolecularFormula
C18H21N5O2
MolecularWeight
339.39163999999994
MdlNumber
MFCD09833196
Smiles
N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
Complexity
622
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AI57136
ChemicalName: Alogliptin
CasNumber: 850649-61-5
MolecularFormula: C18H21N5O2
MolecularWeight: 339.39163999999994
MdlNumber: MFCD09833196
Smiles: N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
Complexity: 622
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AI57136
ChemicalName:
Alogliptin
CasNumber:
850649-61-5
MolecularFormula:
C18H21N5O2
MolecularWeight:
339.39163999999994
MdlNumber:
MFCD09833196
Smiles:
N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
Complexity:
622
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1.N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1.N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI57138
ChemicalName: 1-(4-Bromonaphthalen-1-yl)piperazine
CasNumber: 850650-46-3
MolecularFormula: C14H15BrN2
MolecularWeight: 291.1863
MdlNumber: MFCD26438832
Smiles: Brc1ccc(c2c1cccc2)N1CCNCC1
Complexity: 253
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AI57138
ChemicalName:
1-(4-Bromonaphthalen-1-yl)piperazine
CasNumber:
850650-46-3
MolecularFormula:
C14H15BrN2
MolecularWeight:
291.1863
MdlNumber:
MFCD26438832
Smiles:
Brc1ccc(c2c1cccc2)N1CCNCC1
Complexity:
253
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c(c(c1)C)C(=O)P(=O)(c1ccccc1)O.[Li]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)c(c(c1)C)C(=O)P(=O)(c1ccccc1)O.[Li]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__