General Information of the Compound
| Compound ID |
CP0535743
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| Compound Name |
9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCCC(=O)c3c3cc(ccc23)-c2nc(C)no2)n1
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| InChI |
InChI=1S/C26H29N5O3/c1-4-18-15-19(5-2)29-26(28-18)33-13-7-12-31-21-11-10-17(25-27-16(3)30-34-25)14-20(21)24-22(31)8-6-9-23(24)32/h10-11,14-15H,4-9,12-13H2,1-3H3
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| InChIKey |
MYEDINFGQXCUGM-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