General Information of the Compound
| Compound ID |
CP0871875
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(4-(methylcarbamoyl)phenyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C25H19ClF3N5O3
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| Molecular Weight |
529.906
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| Canonical SMILES |
CNC(=O)c1ccc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)cc1
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| InChI |
InChI=1S/C25H19ClF3N5O3/c1-30-24(37)14-4-2-13(3-5-14)23-17-8-6-16(11-20(17)33-34-23)32-22(36)12-21(35)31-15-7-9-19(26)18(10-15)25(27,28)29/h2-11H,12H2,1H3,(H,30,37)(H,31,35)(H,32,36)(H,33,34)
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| InChIKey |
IADQTGXHUOCQCX-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