General Information of the Compound
| Compound ID |
CP0058896
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| Compound Name |
2,3,5-trisubstituted pyridine, 10h
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| Structure |
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| Formula |
C29H26N6OS
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| Molecular Weight |
506.635
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| Canonical SMILES |
Nc1nnc(s1)-c1cnc(-c2ccc(CNCCC(=O)c3ccccc3N)cc2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C29H26N6OS/c30-25-9-5-4-8-23(25)26(36)14-15-32-17-19-10-12-21(13-11-19)27-24(20-6-2-1-3-7-20)16-22(18-33-27)28-34-35-29(31)37-28/h1-13,16,18,32H,14-15,17,30H2,(H2,31,35)
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| InChIKey |
OSJIEYWNBNVXOV-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