General Information of the Compound
| Compound ID |
CP0914677
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| Compound Name |
5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrobromide
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| Structure |
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| Formula |
C14H13BrF2N2O2
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| Molecular Weight |
359.17
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| Canonical SMILES |
Br.O=C(O)c1n[nH]c2c1CC(c1cc(F)ccc1F)CC2
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| InChI |
InChI=1S/C14H12F2N2O2.BrH/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12;/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20);1H
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| InChIKey |
ZJUQXTOKLGZNMK-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