General Information of the Compound
| Compound ID |
CP0441280
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| Compound Name |
(5-(3,4-dihydroxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H27N5O3
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| Molecular Weight |
517.589
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| Canonical SMILES |
Cc1ccc(cc1)-c1nc(ncc1-c1ccc(O)c(O)c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C31H27N5O3/c1-20-6-8-21(9-7-20)29-25(22-10-11-27(37)28(38)17-22)19-33-30(34-29)31(39)36-14-12-35(13-15-36)24-16-23-4-2-3-5-26(23)32-18-24/h2-11,16-19,37-38H,12-15H2,1H3
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| InChIKey |
OJFKZNKIUPBQDL-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