General Information of the Compound
| Compound ID |
CP0871893
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(pyridin-3-yl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C22H15ClF3N5O2
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| Molecular Weight |
473.842
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| Canonical SMILES |
O=C(CC(=O)Nc1ccc2c(-c3cccnc3)n[nH]c2c1)Nc1ccc(Cl)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C22H15ClF3N5O2/c23-17-6-4-13(8-16(17)22(24,25)26)28-19(32)10-20(33)29-14-3-5-15-18(9-14)30-31-21(15)12-2-1-7-27-11-12/h1-9,11H,10H2,(H,28,32)(H,29,33)(H,30,31)
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| InChIKey |
KHGXTDKWKIDPCT-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