General Information of the Compound
| Compound ID |
CP0039573
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| Compound Name |
1-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-phenyl}methyl)-2-pyrrolidinone
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| Structure |
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| Formula |
C19H20F3N3O
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| Molecular Weight |
363.383
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| Canonical SMILES |
FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CN2CCCC2=O)cc1
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| InChI |
InChI=1S/C19H20F3N3O/c20-19(21,22)18-15-4-1-2-5-16(15)25(23-18)14-9-7-13(8-10-14)12-24-11-3-6-17(24)26/h7-10H,1-6,11-12H2
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| InChIKey |
PDJIWKMJOGMRFV-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