General Information of the Compound
| Compound ID |
CP0505139
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| Compound Name |
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C25H26ClN3O
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| Molecular Weight |
419.956
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| Canonical SMILES |
C[C@H]1CC[C@@H](C)N1C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H26ClN3O/c1-17-7-8-18(2)29(17)23(30)13-14-25(19-9-11-20(26)12-10-19)22-6-4-3-5-21(22)24-27-15-16-28(24)25/h3-6,9-12,15-18H,7-8,13-14H2,1-2H3/t17-,18+,25?
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| InChIKey |
KAOVBRDISLYFNF-OXUKXLDXSA-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