General Information of the Compound
| Compound ID |
CP0905161
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| Compound Name |
(E)-N1-(2,5-Difluorophenyl)-N3-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C23H17F2N5O2
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| Molecular Weight |
433.418
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| Canonical SMILES |
O=C(CC(=O)Nc1cc(F)ccc1F)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C23H17F2N5O2/c24-14-4-8-18(25)21(11-14)28-23(32)13-22(31)27-16-5-7-17-19(29-30-20(17)12-16)9-6-15-3-1-2-10-26-15/h1-12H,13H2,(H,27,31)(H,28,32)(H,29,30)/b9-6+
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| InChIKey |
NKSRFFDEAIVQSN-RMKNXTFCSA-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