General Information of the Compound
| Compound ID |
CP0158916
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| Compound Name |
2-[5-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
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| Structure |
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| Formula |
C26H25BrN4O3
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| Molecular Weight |
521.415
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| Canonical SMILES |
Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1
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| InChI |
InChI=1S/C26H25BrN4O3/c1-2-25(33)31-13-20(14-31)28-24(32)16-30-15-22(21-11-19(27)7-8-23(21)30)26(34)29-10-9-17-5-3-4-6-18(17)12-29/h2-8,11,15,20H,1,9-10,12-14,16H2,(H,28,32)
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| InChIKey |
XXLAUVPHGYKZNQ-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