General Information of the Compound
| Compound ID |
CP0058899
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| Compound Name |
2,3,5-trisubstituted pyridine, 3
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| Structure |
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| Formula |
C29H27N11
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| Molecular Weight |
529.612
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| Canonical SMILES |
Nc1ncnc2n(cnc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
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| InChI |
InChI=1S/C29H27N11/c30-27-26-29(33-17-32-27)40(18-34-26)23-10-12-39(13-11-23)16-19-6-8-21(9-7-19)25-24(20-4-2-1-3-5-20)14-22(15-31-25)28-35-37-38-36-28/h1-9,14-15,17-18,23H,10-13,16H2,(H2,30,32,33)(H,35,36,37,38)
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| InChIKey |
IZQMTAROJNRODE-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