General Information of the Compound
| Compound ID |
CP0102891
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| Compound Name |
2,3,5-trisubstituted pyridine, 10f
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| Structure |
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| Formula |
C30H28N10S
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| Molecular Weight |
560.691
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| Canonical SMILES |
Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3ncc4c(N)ncnc34)cc2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C30H28N10S/c31-27-25-16-36-40(28(25)35-18-34-27)23-10-12-39(13-11-23)17-19-6-8-21(9-7-19)26-24(20-4-2-1-3-5-20)14-22(15-33-26)29-37-38-30(32)41-29/h1-9,14-16,18,23H,10-13,17H2,(H2,32,38)(H2,31,34,35)
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| InChIKey |
UGUQLQRPEDJAPE-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