General Information of the Compound
| Compound ID |
CP0158949
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| Compound Name |
2-[5-bromo-3-(5-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-methylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
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| Structure |
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| Formula |
C28H29BrN4O4
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| Molecular Weight |
565.468
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| Canonical SMILES |
COc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Br)cc12
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| InChI |
InChI=1S/C28H29BrN4O4/c1-4-26(35)32-13-20(14-32)30-25(34)16-33-15-23(22-11-19(29)10-17(2)27(22)33)28(36)31-9-8-21-18(12-31)6-5-7-24(21)37-3/h4-7,10-11,15,20H,1,8-9,12-14,16H2,2-3H3,(H,30,34)
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| InChIKey |
SEEBZUBVWMZXCU-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