General Information of the Compound
| Compound ID |
CP0945741
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| Compound Name |
(E)-N1-Phenyl-N3-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)-malonamide
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| Structure |
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| Formula |
C23H19N5O2
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| Molecular Weight |
397.438
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| Canonical SMILES |
O=C(CC(=O)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)Nc1ccccc1
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| InChI |
InChI=1S/C23H19N5O2/c29-22(25-17-7-2-1-3-8-17)15-23(30)26-18-9-11-19-20(27-28-21(19)14-18)12-10-16-6-4-5-13-24-16/h1-14H,15H2,(H,25,29)(H,26,30)(H,27,28)/b12-10+
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| InChIKey |
KQCJRCDLCPYOHF-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