General Information of the Compound
| Compound ID |
CP0198307
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 41
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| Structure |
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| Formula |
C20H15Cl2N5O
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| Molecular Weight |
412.28
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| Canonical SMILES |
Clc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1Cl
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| InChI |
InChI=1S/C20H15Cl2N5O/c21-16-5-4-14(12-17(16)22)25-20-27-26-19(28-20)15-2-1-9-24-18(15)6-3-13-7-10-23-11-8-13/h1-2,4-5,7-12H,3,6H2,(H,25,27)
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| InChIKey |
CIWUKGVMAYCXDC-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