General Information of the Compound
| Compound ID |
CP0201484
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| Compound Name |
(+/-)-5-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
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| Structure |
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| Formula |
C14H11F3N2O2
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| Molecular Weight |
296.248
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| Canonical SMILES |
OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)cc(F)c1F
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| InChI |
InChI=1S/C14H11F3N2O2/c15-7-4-8(12(17)10(16)5-7)6-1-2-11-9(3-6)13(14(20)21)19-18-11/h4-6H,1-3H2,(H,18,19)(H,20,21)
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| InChIKey |
DKRWTSSIUWFPPD-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