General Information of the Compound
| Compound ID |
CP0570526
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| Compound Name |
9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-6-methylsulfonyl-1,2,3,4-tetrahydrocarbazole
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| Structure |
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| Formula |
C22H27N3O3S
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| Molecular Weight |
413.543
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| Canonical SMILES |
Cc1cc(C)nc(OCCCn2c3CCCCc3c3cc(ccc23)S(C)(=O)=O)n1
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| InChI |
InChI=1S/C22H27N3O3S/c1-15-13-16(2)24-22(23-15)28-12-6-11-25-20-8-5-4-7-18(20)19-14-17(29(3,26)27)9-10-21(19)25/h9-10,13-14H,4-8,11-12H2,1-3H3
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| InChIKey |
KXXPUAQHPRBNNR-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