AH85581
925701-46-8 | KU-60019
Manufacturer: A2B Chem
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CatalogNumber
AH85581
ChemicalName
KU-60019
CasNumber
925701-46-8
MolecularFormula
C30H33N3O5S
MolecularWeight
547.6651
MdlNumber
MFCD18384974
Smiles
O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1CC(C)OC(C1)C
Complexity
972
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
39
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.5
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CatalogNumber: AH85581
ChemicalName: KU-60019
CasNumber: 925701-46-8
MolecularFormula: C30H33N3O5S
MolecularWeight: 547.6651
MdlNumber: MFCD18384974
Smiles: O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1CC(C)OC(C1)C
Complexity: 972
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 39
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AH85581
ChemicalName:
KU-60019
CasNumber:
925701-46-8
MolecularFormula:
C30H33N3O5S
MolecularWeight:
547.6651
MdlNumber:
MFCD18384974
Smiles:
O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1CC(C)OC(C1)C
Complexity:
972
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C1CC(C1)(F)F)c1ccccc1C(F)(F)F
Complexity: 779
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C1CC(C1)(F)F)c1ccccc1C(F)(F)F
Complexity:
779
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5
CatalogNumber: AH85584
ChemicalName: 3-(N-Acrylamidophenyl)boronic acid pinacol ester
CasNumber: 874363-18-5
MolecularFormula: C15H20BNO3
MolecularWeight: 273.1352
MdlNumber: MFCD22493996
Smiles: C=CC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 379
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AH85584
ChemicalName:
3-(N-Acrylamidophenyl)boronic acid pinacol ester
CasNumber:
874363-18-5
MolecularFormula:
C15H20BNO3
MolecularWeight:
273.1352
MdlNumber:
MFCD22493996
Smiles:
C=CC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
379
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNCc1ccc(cc1)OC.Cl
Complexity: 108
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNCc1ccc(cc1)OC.Cl
Complexity:
108
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__