General Information of the Compound
| Compound ID |
CP0376311
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| Compound Name |
3-fluoro-N-(2-hydroxyethyl)-4-[6-(trifluoromethyl)-1H-indazol-4-yl]benzamide
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| Structure |
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| Formula |
C17H13F4N3O2
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| Molecular Weight |
367.302
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| Canonical SMILES |
OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
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| InChI |
InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24)
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| InChIKey |
KVBBKLNPTAGDQO-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