AE81483
1448347-49-6 | AG-120
Manufacturer: A2B Chem
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CatalogNumber
AE81483
ChemicalName
AG-120
CasNumber
1448347-49-6
MolecularFormula
C28H22ClF3N6O3
MolecularWeight
582.9609
MdlNumber
MFCD29036964
Smiles
N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Complexity
1050
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
41
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.4
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CatalogNumber: AE81483
ChemicalName: AG-120
CasNumber: 1448347-49-6
MolecularFormula: C28H22ClF3N6O3
MolecularWeight: 582.9609
MdlNumber: MFCD29036964
Smiles: N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Complexity: 1050
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.4
CatalogNumber:
AE81483
ChemicalName:
AG-120
CasNumber:
1448347-49-6
MolecularFormula:
C28H22ClF3N6O3
MolecularWeight:
582.9609
MdlNumber:
MFCD29036964
Smiles:
N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Complexity:
1050
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)Nc1cccc(c1)CNc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)Nc1cccc(c1)CNc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE81485
ChemicalName: (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CasNumber: 1700693-08-8
MolecularFormula: C19H21ClN6O3
MolecularWeight: 416.86143999999985
MdlNumber: MFCD28975160
Smiles: COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Complexity: 566
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AE81485
ChemicalName:
(4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CasNumber:
1700693-08-8
MolecularFormula:
C19H21ClN6O3
MolecularWeight:
416.86143999999985
MdlNumber:
MFCD28975160
Smiles:
COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Complexity:
566
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(c(cc1OC)Cl)c1ccccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(c(cc1OC)Cl)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__