General Information of the Compound
| Compound ID |
CP0921214
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| Compound Name |
1-[4-(1-piperidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
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| Structure |
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| Formula |
C20H22F3N3O
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| Molecular Weight |
377.41
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| Canonical SMILES |
O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCCC1
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| InChI |
InChI=1S/C20H22F3N3O/c21-20(22,23)18-16-6-2-3-7-17(16)26(24-18)15-10-8-14(9-11-15)19(27)25-12-4-1-5-13-25/h8-11H,1-7,12-13H2
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| InChIKey |
SBLJRTWCTCFWDW-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