General Information of the Compound
| Compound ID |
CP0058898
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| Compound Name |
2,3,5-trisubstituted pyridine, 10c
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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)c3nnc([nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C32H29N9S/c33-32-40-39-31(42-32)25-18-26(22-6-2-1-3-7-22)28(35-19-25)23-11-9-21(10-12-23)20-41-16-13-24(14-17-41)29-36-30(38-37-29)27-8-4-5-15-34-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,33,40)(H,36,37,38)
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| InChIKey |
QMWBUFQWRWCLHE-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