AE81480
1446321-46-5 | GBT 440
Manufacturer: A2B Chem
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CatalogNumber
AE81480
ChemicalName
GBT 440
CasNumber
1446321-46-5
MolecularFormula
C19H19N3O3
MolecularWeight
337.37246000000005
MdlNumber
MFCD29053764
Smiles
O=Cc1c(cccc1O)OCc1cccnc1c1ccnn1C(C)C
Complexity
434
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.7
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CatalogNumber: AE81480
ChemicalName: GBT 440
CasNumber: 1446321-46-5
MolecularFormula: C19H19N3O3
MolecularWeight: 337.37246000000005
MdlNumber: MFCD29053764
Smiles: O=Cc1c(cccc1O)OCc1cccnc1c1ccnn1C(C)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.7
CatalogNumber:
AE81480
ChemicalName:
GBT 440
CasNumber:
1446321-46-5
MolecularFormula:
C19H19N3O3
MolecularWeight:
337.37246000000005
MdlNumber:
MFCD29053764
Smiles:
O=Cc1c(cccc1O)OCc1cccnc1c1ccnn1C(C)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.7
CatalogNumber: AE81481
ChemicalName: Ib-meca
CasNumber: 152918-18-8
MolecularFormula: C18H19IN6O4
MolecularWeight: 510.2857
MdlNumber: MFCD00671785
Smiles: CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I
Complexity: 589
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 5
Xlogp3: 0.9
CatalogNumber:
AE81481
ChemicalName:
Ib-meca
CasNumber:
152918-18-8
MolecularFormula:
C18H19IN6O4
MolecularWeight:
510.2857
MdlNumber:
MFCD00671785
Smiles:
CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I
Complexity:
589
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
5
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc(c1/C=C1/C(=O)Nc2c1cccc2)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc(c1/C=C1/C(=O)Nc2c1cccc2)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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
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
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.4