General Information of the Compound
| Compound ID |
CP0518019
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| Compound Name |
2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-1-(5-ethylfuran-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C29H28N4O3
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| Molecular Weight |
480.568
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| Canonical SMILES |
CCc1ccc(o1)C1N(CCc2c1[nH]c1ccccc21)c1ncc(cn1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H28N4O3/c1-4-20-10-12-25(36-20)28-27-22(21-7-5-6-8-23(21)32-27)13-14-33(28)29-30-16-19(17-31-29)18-9-11-24(34-2)26(15-18)35-3/h5-12,15-17,28,32H,4,13-14H2,1-3H3
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| InChIKey |
YFWUUYMKIFKKLK-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