AE81481
152918-18-8 | Ib-meca
Manufacturer: A2B Chem
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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
DefinedAtomStereocenterCount
4
HeavyAtomCount
29
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
5
Xlogp3
0.9
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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
DefinedAtomStereocenterCount: 4
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
DefinedAtomStereocenterCount:
4
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: __
DefinedAtomStereocenterCount: __
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:
__
DefinedAtomStereocenterCount:
__
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
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:
__