General Information of the Compound
| Compound ID |
CP0320331
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| Compound Name |
2,3,5-trisubstituted pyridine, 10d
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| Structure |
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| Formula |
C33H30N8S
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| Molecular Weight |
570.726
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| Canonical SMILES |
Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3cc(cn3)-c3ccccn3)cc2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C33H30N8S/c34-33-39-38-32(42-33)26-18-29(24-6-2-1-3-7-24)31(36-19-26)25-11-9-23(10-12-25)21-40-16-13-28(14-17-40)41-22-27(20-37-41)30-8-4-5-15-35-30/h1-12,15,18-20,22,28H,13-14,16-17,21H2,(H2,34,39)
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| InChIKey |
FHJUGOOSLGTUSW-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