General Information of the Compound
| Compound ID |
CP0451026
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| Compound Name |
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2-(3-methoxy-4-methylphenyl)acetamide
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| Structure |
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
COc1cc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)ccc1C
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| InChI |
InChI=1S/C25H27N3O2/c1-16-5-6-17(12-23(16)30-2)13-25(29)27-21-10-9-18-7-8-19(14-20(18)21)22-15-28-11-3-4-24(28)26-22/h5-8,12,14-15,21H,3-4,9-11,13H2,1-2H3,(H,27,29)/t21-/m1/s1
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| InChIKey |
WHKWYCMXCHKNSQ-OAQYLSRUSA-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