General Information of the Compound
| Compound ID |
CP0470425
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| Compound Name |
9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6-methylsulfonyl-1,2,3,4-tetrahydrocarbazole
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| Structure |
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)S(C)(=O)=O)n1
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| InChI |
InChI=1S/C24H31N3O3S/c1-4-17-15-18(5-2)26-24(25-17)30-14-8-13-27-22-10-7-6-9-20(22)21-16-19(31(3,28)29)11-12-23(21)27/h11-12,15-16H,4-10,13-14H2,1-3H3
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| InChIKey |
DLAOURFNFPTOCN-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