General Information of the Compound
| Compound ID |
CP0169521
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| Compound Name |
2,3,5-trisubstituted pyridine, 10a
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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)c3cc(n[nH]3)-c3ccncc3)cc2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C33H30N8S/c34-33-40-39-32(42-33)27-18-28(23-4-2-1-3-5-23)31(36-20-27)26-8-6-22(7-9-26)21-41-16-12-25(13-17-41)30-19-29(37-38-30)24-10-14-35-15-11-24/h1-11,14-15,18-20,25H,12-13,16-17,21H2,(H2,34,40)(H,37,38)
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| InChIKey |
BHRZESZXIYBZTH-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