General Information of the Compound
| Compound ID |
CP0452646
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| Compound Name |
N-(2-hydroxyethyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-indazol-4-yl]benzamide
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| Structure |
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| Formula |
C18H16F3N3O3
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| Molecular Weight |
379.338
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| Canonical SMILES |
COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
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| InChI |
InChI=1S/C18H16F3N3O3/c1-27-16-6-10(17(26)22-4-5-25)2-3-12(16)13-7-11(18(19,20)21)8-15-14(13)9-23-24-15/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
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| InChIKey |
MQBAPASGXUTVKD-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