General Information of the Compound
| Compound ID |
CP0146014
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| Compound Name |
3-cyclohexyl-4-(trifluoromethyl)-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 |
C15H15F3N4
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| Molecular Weight |
308.307
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| Canonical SMILES |
FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
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| InChI |
InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
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| InChIKey |
DAEHEXHIXLMIJT-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