General Information of the Compound
| Compound ID |
CP0396987
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| Compound Name |
(+/-)-5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
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| Structure |
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| Formula |
C14H13FN2O2
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| Molecular Weight |
260.268
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| Canonical SMILES |
OC(=O)c1n[nH]c2CCC(Cc12)c1ccccc1F
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| InChI |
InChI=1S/C14H13FN2O2/c15-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(14(18)19)17-16-12/h1-4,8H,5-7H2,(H,16,17)(H,18,19)
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| InChIKey |
IBIKXOKLTWYROG-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