General Information of the Compound
| Compound ID |
CP0397254
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| Compound Name |
3-[5-(4-chlorophenyl)-7-methoxyimidazo[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 |
C26H28ClN3O2
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| Molecular Weight |
449.982
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| Canonical SMILES |
COc1ccc2-c3nccn3C(CCC(=O)N3[C@@H](C)CC[C@H]3C)(c2c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H28ClN3O2/c1-17-4-5-18(2)30(17)24(31)12-13-26(19-6-8-20(27)9-7-19)23-16-21(32-3)10-11-22(23)25-28-14-15-29(25)26/h6-11,14-18H,4-5,12-13H2,1-3H3/t17-,18+,26?
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| InChIKey |
TUJSMEBQUNFBMQ-PQJFKPCWSA-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