General Information of the Compound
| Compound ID |
CP0427392
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| Compound Name |
4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
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| Structure |
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| Formula |
C18H15F3N2O
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| Molecular Weight |
332.325
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| Canonical SMILES |
Cc1cc(O)ccc1-c1nn(CC=C)c2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C18H15F3N2O/c1-3-9-23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)10-11(13)2/h3-8,10,24H,1,9H2,2H3
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| InChIKey |
SWJSHDFDYLZVEN-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