AA95381
1801747-11-4 | Shp099 (hydrochloride)
Manufacturer: A2B Chem
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CatalogNumber
AA95381
ChemicalName
Shp099 (hydrochloride)
CasNumber
1801747-11-4
MolecularFormula
C16H20Cl3N5
MolecularWeight
388.7224999999999
MdlNumber
MFCD30343849
Smiles
Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N.Cl
Complexity
402
Covalently-bondedUnitCount
2
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AA95381
ChemicalName: Shp099 (hydrochloride)
CasNumber: 1801747-11-4
MolecularFormula: C16H20Cl3N5
MolecularWeight: 388.7224999999999
MdlNumber: MFCD30343849
Smiles: Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N.Cl
Complexity: 402
Covalently-bondedUnitCount: 2
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AA95381
ChemicalName:
Shp099 (hydrochloride)
CasNumber:
1801747-11-4
MolecularFormula:
C16H20Cl3N5
MolecularWeight:
388.7224999999999
MdlNumber:
MFCD30343849
Smiles:
Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N.Cl
Complexity:
402
Covalently-bondedUnitCount:
2
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)COB2O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)COB2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCc1ccccc1I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCc1ccccc1I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__