General Information of the Compound
| Compound ID |
CP0915176
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| Compound Name |
(E)-N1-(3-Methoxyphenyl)-N3-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C24H21N5O3
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| Molecular Weight |
427.464
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| Canonical SMILES |
COc1cccc(NC(=O)CC(=O)Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
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| InChI |
InChI=1S/C24H21N5O3/c1-32-19-7-4-6-17(13-19)26-23(30)15-24(31)27-18-8-10-20-21(28-29-22(20)14-18)11-9-16-5-2-3-12-25-16/h2-14H,15H2,1H3,(H,26,30)(H,27,31)(H,28,29)/b11-9+
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| InChIKey |
OQVZPZNQNVYIQJ-PKNBQFBNSA-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