General Information of the Compound
| Compound ID |
CP0169187
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| Compound Name |
2-[5-bromo-3-(5-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,7-dimethylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
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| Structure |
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| Formula |
C29H31BrN4O4
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| Molecular Weight |
579.495
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| Canonical SMILES |
COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Br)cc12
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| InChI |
InChI=1S/C29H31BrN4O4/c1-5-26(36)33-14-21(15-33)31-25(35)16-34-18(3)27(23-12-20(30)11-17(2)28(23)34)29(37)32-10-9-22-19(13-32)7-6-8-24(22)38-4/h5-8,11-12,21H,1,9-10,13-16H2,2-4H3,(H,31,35)
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| InChIKey |
IRLFRQQJNBBTMK-UHFFFAOYSA-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