AB52477
84163-22-4 | 3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB52477
ChemicalName
3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride
CasNumber
84163-22-4
MolecularFormula
C12H15ClN2O
MolecularWeight
238.7133
MdlNumber
MFCD27978162
Smiles
N1CCC(CC1)c1noc2c1cccc2.Cl
Complexity
216
Covalently-bondedUnitCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AB52477
ChemicalName: 3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride
CasNumber: 84163-22-4
MolecularFormula: C12H15ClN2O
MolecularWeight: 238.7133
MdlNumber: MFCD27978162
Smiles: N1CCC(CC1)c1noc2c1cccc2.Cl
Complexity: 216
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB52477
ChemicalName:
3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride
CasNumber:
84163-22-4
MolecularFormula:
C12H15ClN2O
MolecularWeight:
238.7133
MdlNumber:
MFCD27978162
Smiles:
N1CCC(CC1)c1noc2c1cccc2.Cl
Complexity:
216
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cl/C=C/CON=C(C1=C(O)CC(CC1=O)CC(SCC)C)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cl/C=C/CON=C(C1=C(O)CC(CC1=O)CC(SCC)C)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB52479
ChemicalName: Odanacatib
CasNumber: 603139-19-1
MolecularFormula: C25H27F4N3O3S
MolecularWeight: 525.5588
MdlNumber: MFCD11042419
Smiles: N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C
Complexity: 934
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 9
CatalogNumber:
AB52479
ChemicalName:
Odanacatib
CasNumber:
603139-19-1
MolecularFormula:
C25H27F4N3O3S
MolecularWeight:
525.5588
MdlNumber:
MFCD11042419
Smiles:
N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C
Complexity:
934
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
9
CatalogNumber: AB52480
ChemicalName: Entrectinib
CasNumber: 1108743-60-7
MolecularFormula: C31H34F2N6O2
MolecularWeight: 560.6375
MdlNumber: MFCD28129099
Smiles: CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB52480
ChemicalName:
Entrectinib
CasNumber:
1108743-60-7
MolecularFormula:
C31H34F2N6O2
MolecularWeight:
560.6375
MdlNumber:
MFCD28129099
Smiles:
CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__