General Information of the Compound
| Compound ID |
CP0065952
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| Compound Name |
[(3aS,6aR)-2-(6-chloro-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,6-dimethoxyphenyl)methanone
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| Structure |
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| Formula |
C22H22ClN3O3S
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| Molecular Weight |
443.956
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| Canonical SMILES |
COc1cccc(OC)c1C(=O)N1C[C@H]2CN(C[C@H]2C1)c1nc2ccc(Cl)cc2s1
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| InChI |
InChI=1S/C22H22ClN3O3S/c1-28-17-4-3-5-18(29-2)20(17)21(27)25-9-13-11-26(12-14(13)10-25)22-24-16-7-6-15(23)8-19(16)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+
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| InChIKey |
KQRJYENNYTUWHU-OKILXGFUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound