AA25413
1229208-44-9 | GS-9973
Manufacturer: A2B Chem
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CatalogNumber
AA25413
ChemicalName
GS-9973
CasNumber
1229208-44-9
MolecularFormula
C23H21N7O
MolecularWeight
411.4591
MdlNumber
MFCD28099806
Smiles
O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2
Complexity
595
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AA25413
ChemicalName: GS-9973
CasNumber: 1229208-44-9
MolecularFormula: C23H21N7O
MolecularWeight: 411.4591
MdlNumber: MFCD28099806
Smiles: O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2
Complexity: 595
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AA25413
ChemicalName:
GS-9973
CasNumber:
1229208-44-9
MolecularFormula:
C23H21N7O
MolecularWeight:
411.4591
MdlNumber:
MFCD28099806
Smiles:
O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2
Complexity:
595
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C.Cc1ccc(cc1)S(=O)(=O)O.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C.Cc1ccc(cc1)S(=O)(=O)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCC(CC1)(C)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCC(CC1)(C)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)Oc1nc(Cl)ncc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)Oc1nc(Cl)ncc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__