General Information of the Compound
| Compound ID |
CP0277162
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| Compound Name |
2,3,5-trisubstituted pyridine, 10e
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| Structure |
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| Formula |
C32H29N9S
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| Molecular Weight |
571.714
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| Canonical SMILES |
Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3cc(cn3)-c3cnccn3)cc2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C32H29N9S/c33-32-39-38-31(42-32)25-16-28(23-4-2-1-3-5-23)30(36-17-25)24-8-6-22(7-9-24)20-40-14-10-27(11-15-40)41-21-26(18-37-41)29-19-34-12-13-35-29/h1-9,12-13,16-19,21,27H,10-11,14-15,20H2,(H2,33,39)
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| InChIKey |
JEBHQRKVJAFLBR-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