General Information of the Compound
| Compound ID |
CP0171476
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| Compound Name |
((pyridin-3-yl)ethyl)pyridine 9
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| Structure |
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| Formula |
C21H16F3N5O
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| Molecular Weight |
411.387
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2cccnc2)c1
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| InChI |
InChI=1S/C21H16F3N5O/c22-21(23,24)15-5-1-6-16(12-15)27-20-29-28-19(30-20)17-7-3-11-26-18(17)9-8-14-4-2-10-25-13-14/h1-7,10-13H,8-9H2,(H,27,29)
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| InChIKey |
VLTJRWVVLVBBPN-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