AB02408
1796565-52-0 | Orexin 2 receptor agonist
Manufacturer: A2B Chem
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CatalogNumber
AB02408
ChemicalName
Orexin 2 receptor agonist
CasNumber
1796565-52-0
MolecularFormula
C32H34N4O5S
MolecularWeight
586.7012
MdlNumber
MFCD29924727
Smiles
COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
Complexity
986
Covalently-bondedUnitCount
1
HeavyAtomCount
42
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
11
Xlogp3
4.8
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CatalogNumber: AB02408
ChemicalName: Orexin 2 receptor agonist
CasNumber: 1796565-52-0
MolecularFormula: C32H34N4O5S
MolecularWeight: 586.7012
MdlNumber: MFCD29924727
Smiles: COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
Complexity: 986
Covalently-bondedUnitCount: 1
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 11
Xlogp3: 4.8
CatalogNumber:
AB02408
ChemicalName:
Orexin 2 receptor agonist
CasNumber:
1796565-52-0
MolecularFormula:
C32H34N4O5S
MolecularWeight:
586.7012
MdlNumber:
MFCD29924727
Smiles:
COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
Complexity:
986
Covalently-bondedUnitCount:
1
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
11
Xlogp3:
4.8
CatalogNumber: __
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Smiles: CCCC(NC(=O)OC(C)(C)C)CO
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Smiles:
CCCC(NC(=O)OC(C)(C)C)CO
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Smiles: CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O
Complexity: __
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Smiles:
CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O
Complexity:
__
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC1=[O][Lu+3]23([O]=C([CH-]1)C)([O]=C(C)[CH-]C(=[O]2)C)[O]=C(C)[CH-]C(=[O]3)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=[O][Lu+3]23([O]=C([CH-]1)C)([O]=C(C)[CH-]C(=[O]2)C)[O]=C(C)[CH-]C(=[O]3)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__