General Information of the Compound
| Compound ID |
CP0888647
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| Compound Name |
5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrobromide
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| Structure |
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| Formula |
C13H13BrFN3O2
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| Molecular Weight |
342.168
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| Canonical SMILES |
Br.O=C(O)c1n[nH]c2c1CC(c1cccnc1F)CC2
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| InChI |
InChI=1S/C13H12FN3O2.BrH/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10;/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19);1H
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| InChIKey |
PTXSRXMWKZCDBK-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