General Information of the Compound
| Compound ID |
CP0335391
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| Compound Name |
3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
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| Structure |
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| Formula |
C15H16F3N5
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| Molecular Weight |
323.322
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| Canonical SMILES |
FC(F)(F)CN1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C15H16F3N5/c16-15(17,18)8-22-5-2-10(3-6-22)23-9-21-12-7-20-14-11(13(12)23)1-4-19-14/h1,4,7,9-10H,2-3,5-6,8H2,(H,19,20)
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| InChIKey |
FOKOEDIQNRPGOY-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