General Information of the Compound
| Compound ID |
CP0867284
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(6-methylpyridin-3-yl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C23H17ClF3N5O2
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| Molecular Weight |
487.869
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| Canonical SMILES |
Cc1ccc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)cn1
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| InChI |
InChI=1S/C23H17ClF3N5O2/c1-12-2-3-13(11-28-12)22-16-6-4-15(9-19(16)31-32-22)30-21(34)10-20(33)29-14-5-7-18(24)17(8-14)23(25,26)27/h2-9,11H,10H2,1H3,(H,29,33)(H,30,34)(H,31,32)
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| InChIKey |
ZQBKWZWFMMRDCX-UHFFFAOYSA-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