General Information of the Compound
| Compound ID |
CP0945742
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| Compound Name |
(E)-N1-(Perfluorophenyl)-N3-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C23H14F5N5O2
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| Molecular Weight |
487.388
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| Canonical SMILES |
O=C(CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C23H14F5N5O2/c24-18-19(25)21(27)23(22(28)20(18)26)31-17(35)10-16(34)30-12-4-6-13-14(32-33-15(13)9-12)7-5-11-3-1-2-8-29-11/h1-9H,10H2,(H,30,34)(H,31,35)(H,32,33)/b7-5+
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| InChIKey |
SBFUNDUDPSHMEO-FNORWQNLSA-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