General Information of the Compound
| Compound ID |
CP0477005
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| Compound Name |
9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6-(4-propyltriazol-1-yl)-1,2,3,4-tetrahydrocarbazole
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| Structure |
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| Formula |
C28H36N6O
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| Molecular Weight |
472.637
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| Canonical SMILES |
CCCc1cn(nn1)-c1ccc2n(CCCOc3nc(CC)cc(CC)n3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C28H36N6O/c1-4-10-22-19-34(32-31-22)23-13-14-27-25(18-23)24-11-7-8-12-26(24)33(27)15-9-16-35-28-29-20(5-2)17-21(6-3)30-28/h13-14,17-19H,4-12,15-16H2,1-3H3
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| InChIKey |
BNTIUYOSOQHQAQ-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