General Information of the Compound
| Compound ID |
CP0543303
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| Compound Name |
9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6-[4-(fluoromethyl)triazol-1-yl]-1,2,3,4-tetrahydrocarbazole
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| Structure |
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| Formula |
C26H31FN6O
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| Molecular Weight |
462.573
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| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-n2cc(CF)nn2)n1
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| InChI |
InChI=1S/C26H31FN6O/c1-3-18-14-19(4-2)29-26(28-18)34-13-7-12-32-24-9-6-5-8-22(24)23-15-21(10-11-25(23)32)33-17-20(16-27)30-31-33/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3
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| InChIKey |
KRQFMFMAMOCRJE-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