General Information of the Compound
| Compound ID |
CP0464895
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| Compound Name |
7-[2,4-bis(trifluoromethyl)phenyl]-2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
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| Structure |
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| Formula |
C24H26F6N4
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| Molecular Weight |
484.488
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| Canonical SMILES |
CCCC(CCC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
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| InChI |
InChI=1S/C24H26F6N4/c1-4-6-17(7-5-2)34-13-15-10-11-33(21-20(15)22(34)32-14(3)31-21)19-9-8-16(23(25,26)27)12-18(19)24(28,29)30/h8-9,12-13,17H,4-7,10-11H2,1-3H3
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| InChIKey |
CSSCMHXZJCPICP-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