General Information of the Compound
| Compound ID |
CP0169173
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| Compound Name |
N-benzyl-5-bromo-N-methyl-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C25H25BrN4O3
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| Molecular Weight |
509.404
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
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| InChI |
InChI=1S/C25H25BrN4O3/c1-3-24(32)30-13-19(14-30)27-23(31)16-29-15-21(20-11-18(26)9-10-22(20)29)25(33)28(2)12-17-7-5-4-6-8-17/h3-11,15,19H,1,12-14,16H2,2H3,(H,27,31)
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| InChIKey |
AVLGQWHCPAUISH-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