General Information of the Compound
| Compound ID |
CP0039571
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| Compound Name |
1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}-2-propanone
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| Structure |
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| Formula |
C17H17F3N2O
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| Molecular Weight |
322.33
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| Canonical SMILES |
CC(=O)Cc1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N2O/c1-11(23)10-12-6-8-13(9-7-12)22-15-5-3-2-4-14(15)16(21-22)17(18,19)20/h6-9H,2-5,10H2,1H3
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| InChIKey |
GLEVYNXKNNNUSS-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