General Information of the Compound
| Compound ID |
CP0871877
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C21H16ClF3N6O2
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| Molecular Weight |
476.846
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| Canonical SMILES |
Cn1cc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)cn1
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| InChI |
InChI=1S/C21H16ClF3N6O2/c1-31-10-11(9-26-31)20-14-4-2-13(7-17(14)29-30-20)28-19(33)8-18(32)27-12-3-5-16(22)15(6-12)21(23,24)25/h2-7,9-10H,8H2,1H3,(H,27,32)(H,28,33)(H,29,30)
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| InChIKey |
YAFQTJMQMIFLIX-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