General Information of the Compound
| Compound ID |
CP0909467
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(5-(methylcarbamoyl)pyridin-3-yl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C24H18ClF3N6O3
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| Molecular Weight |
530.894
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| Canonical SMILES |
CNC(=O)c1cncc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)c1
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| InChI |
InChI=1S/C24H18ClF3N6O3/c1-29-23(37)13-6-12(10-30-11-13)22-16-4-2-15(8-19(16)33-34-22)32-21(36)9-20(35)31-14-3-5-18(25)17(7-14)24(26,27)28/h2-8,10-11H,9H2,1H3,(H,29,37)(H,31,35)(H,32,36)(H,33,34)
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| InChIKey |
ODNSRHYFMPWYLL-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