General Information of the Compound
| Compound ID |
CP0867288
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| Compound Name |
(E)-N1-(3-(Dimethylamino)phenyl)-N3-(3-(2-(pyridin-2-yl)-vinyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
CN(C)c1cccc(NC(=O)CC(=O)Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
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| InChI |
InChI=1S/C25H24N6O2/c1-31(2)20-8-5-7-18(14-20)27-24(32)16-25(33)28-19-9-11-21-22(29-30-23(21)15-19)12-10-17-6-3-4-13-26-17/h3-15H,16H2,1-2H3,(H,27,32)(H,28,33)(H,29,30)/b12-10+
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| InChIKey |
JPQFSCRLUGAVFO-ZRDIBKRKSA-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