General Information of the Compound
| Compound ID |
CP0542313
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| Compound Name |
9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6-(tetrazol-1-yl)-1,2,3,4-tetrahydrocarbazole
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| Structure |
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| Formula |
C24H29N7O
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| Molecular Weight |
431.544
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| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-n2cnnn2)n1
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| InChI |
InChI=1S/C24H29N7O/c1-3-17-14-18(4-2)27-24(26-17)32-13-7-12-30-22-9-6-5-8-20(22)21-15-19(10-11-23(21)30)31-16-25-28-29-31/h10-11,14-16H,3-9,12-13H2,1-2H3
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| InChIKey |
GQFBYTIMRWRECO-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