AA34002
1201438-56-3 | Duvelisib
Manufacturer: A2B Chem
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CatalogNumber
AA34002
ChemicalName
Duvelisib
CasNumber
1201438-56-3
MolecularFormula
C22H17ClN6O
MolecularWeight
416.863
MdlNumber
MFCD15144635
Smiles
Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1nc[nH]2)C)c1ccccc1
Complexity
668
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
4.1
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CatalogNumber: AA34002
ChemicalName: Duvelisib
CasNumber: 1201438-56-3
MolecularFormula: C22H17ClN6O
MolecularWeight: 416.863
MdlNumber: MFCD15144635
Smiles: Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1nc[nH]2)C)c1ccccc1
Complexity: 668
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 4.1
CatalogNumber:
AA34002
ChemicalName:
Duvelisib
CasNumber:
1201438-56-3
MolecularFormula:
C22H17ClN6O
MolecularWeight:
416.863
MdlNumber:
MFCD15144635
Smiles:
Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1nc[nH]2)C)c1ccccc1
Complexity:
668
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1CCCCN1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1CCCCN1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA34008
ChemicalName: 4-Carboxy-3-fluorophenylboronic acid
CasNumber: 120153-08-4
MolecularFormula: C7H6BFO4
MolecularWeight: 183.92954320000004
MdlNumber: MFCD01114671
Smiles: OB(c1ccc(c(c1)F)C(=O)O)O
Complexity: 199
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA34008
ChemicalName:
4-Carboxy-3-fluorophenylboronic acid
CasNumber:
120153-08-4
MolecularFormula:
C7H6BFO4
MolecularWeight:
183.92954320000004
MdlNumber:
MFCD01114671
Smiles:
OB(c1ccc(c(c1)F)C(=O)O)O
Complexity:
199
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(n1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(n1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__