General Information of the Compound
| Compound ID |
CP0534140
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| Compound Name |
methyl 9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
COC(=O)c1ccc2n(CCCOc3nc(C)cc(C)n3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C23H27N3O3/c1-15-13-16(2)25-23(24-15)29-12-6-11-26-20-8-5-4-7-18(20)19-14-17(22(27)28-3)9-10-21(19)26/h9-10,13-14H,4-8,11-12H2,1-3H3
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| InChIKey |
BBEIOODQYCQKAB-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