General Information of the Compound
| Compound ID |
CP0526496
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| Compound Name |
7-[2,4-bis(trifluoromethyl)phenyl]-10-methyl-2-pentan-3-yl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
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| Structure |
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| Formula |
C23H23F6N3
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| Molecular Weight |
455.446
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| Canonical SMILES |
CCC(CC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)cc1c23
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| InChI |
InChI=1S/C23H23F6N3/c1-4-16(5-2)32-12-14-8-9-31(21-20(14)19(32)10-13(3)30-21)18-7-6-15(22(24,25)26)11-17(18)23(27,28)29/h6-7,10-12,16H,4-5,8-9H2,1-3H3
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| InChIKey |
VDSMSJWLEJGXKA-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