AE11232
1089283-49-7 | GSK1904529A
Manufacturer: A2B Chem
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CatalogNumber
AE11232
ChemicalName
GSK1904529A
CasNumber
1089283-49-7
MolecularFormula
C44H47F2N9O5S
MolecularWeight
851.9631
MdlNumber
MFCD17010271
Smiles
COc1cc(N2CCC(CC2)N2CCN(CC2)S(=O)(=O)C)c(cc1Nc1nccc(n1)c1c(nc2n1cccc2)c1ccc(c(c1)C(=O)Nc1c(F)cccc1F)OC)CC
Complexity
1530
Covalently-bondedUnitCount
1
HeavyAtomCount
61
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
2
RotatableBondCount
12
Xlogp3
6.8
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CatalogNumber: AE11232
ChemicalName: GSK1904529A
CasNumber: 1089283-49-7
MolecularFormula: C44H47F2N9O5S
MolecularWeight: 851.9631
MdlNumber: MFCD17010271
Smiles: COc1cc(N2CCC(CC2)N2CCN(CC2)S(=O)(=O)C)c(cc1Nc1nccc(n1)c1c(nc2n1cccc2)c1ccc(c(c1)C(=O)Nc1c(F)cccc1F)OC)CC
Complexity: 1530
Covalently-bondedUnitCount: 1
HeavyAtomCount: 61
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 2
RotatableBondCount: 12
Xlogp3: 6.8
CatalogNumber:
AE11232
ChemicalName:
GSK1904529A
CasNumber:
1089283-49-7
MolecularFormula:
C44H47F2N9O5S
MolecularWeight:
851.9631
MdlNumber:
MFCD17010271
Smiles:
COc1cc(N2CCC(CC2)N2CCN(CC2)S(=O)(=O)C)c(cc1Nc1nccc(n1)c1c(nc2n1cccc2)c1ccc(c(c1)C(=O)Nc1c(F)cccc1F)OC)CC
Complexity:
1530
Covalently-bondedUnitCount:
1
HeavyAtomCount:
61
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
2
RotatableBondCount:
12
Xlogp3:
6.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE11234
ChemicalName: Gsk2126458
CasNumber: 1086062-66-9
MolecularFormula: C25H17F2N5O3S
MolecularWeight: 505.496
MdlNumber: MFCD16038929
Smiles: COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1
Complexity: 833
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.3
CatalogNumber:
AE11234
ChemicalName:
Gsk2126458
CasNumber:
1086062-66-9
MolecularFormula:
C25H17F2N5O3S
MolecularWeight:
505.496
MdlNumber:
MFCD16038929
Smiles:
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1
Complexity:
833
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__