General Information of the Compound
| Compound ID |
CP0528217
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| Compound Name |
7-(3-fluoro-4-methoxyphenyl)-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 |
C22H26FN3O
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| Molecular Weight |
367.468
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| Canonical SMILES |
CCC(CC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
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| InChI |
InChI=1S/C22H26FN3O/c1-5-16(6-2)26-13-15-9-10-25(17-7-8-20(27-4)18(23)12-17)22-21(15)19(26)11-14(3)24-22/h7-8,11-13,16H,5-6,9-10H2,1-4H3
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| InChIKey |
YNVMSKGSCGWZAT-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