General Information of the Compound
| Compound ID |
CP0068325
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 19
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
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| InChI |
InChI=1S/C24H25N5O/c1-24(2,3)18-7-9-19(10-8-18)27-23-29-28-22(30-23)20-5-4-14-26-21(20)11-6-17-12-15-25-16-13-17/h4-5,7-10,12-16H,6,11H2,1-3H3,(H,27,29)
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| InChIKey |
BXWMSEULKYSGMV-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