General Information of the Compound
| Compound ID |
CP0534136
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| Compound Name |
2-[9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
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| Structure |
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-c2nnc(C)o2)n1
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| InChI |
InChI=1S/C26H31N5O2/c1-4-19-16-20(5-2)28-26(27-19)32-14-8-13-31-23-10-7-6-9-21(23)22-15-18(11-12-24(22)31)25-30-29-17(3)33-25/h11-12,15-16H,4-10,13-14H2,1-3H3
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| InChIKey |
FZYUMMWJLIGVGS-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