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Chem Lurasidone | Cheminformatics

Lurasidone


  • SKU Code: CH136955
Chemical Name - Lurasidone
Mol Weight - 492.686
Smiles - O=C([C@H]1[C@@H]2[C@H]3C[C@@H]1CC3)N(C[C@H]1[C@H](CN(CC3)CCN3c3nsc4c3cccc4)CCCC1)C2=O
Property Name Property Value
Mol NameLurasidone
Molweight492.686
Monoisotopic Mass492.255896
Clogp3.9243
Clogs-3.966
H Acceptors6
Total Surface Area355.34
Relative Psa0.19153
Polar Surface Area84.99
Druglikeness2.6271
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.51429
Molecular Flexibility0.44285
Molecular Complexity0.909
Fragments1
Non H Atoms35
Non Ch Atoms7
Electronegative Atoms7
Stereo Centers6
Rotatable Bonds5
Rings Closures7
Small Rings8
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms20
Symmetric Atoms2
Amides1
Amines1
Alkyl Amines1
Aromatic Nitrogens1
Basic Nitrogens2
SmilesO=C([C@H]1[C@@H]2[C@H]3C[C@@H]1CC3)N(C[C@H]1[C@H](CN(CC3)CCN3c3nsc4c3cccc4)CCCC1)C2=O
InChIKey
InChIC28H36N4O2S

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