General Information of the Compound
| Compound ID |
CP0171348
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 42
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
COc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1OC
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| InChI |
InChI=1S/C22H21N5O3/c1-28-19-8-6-16(14-20(19)29-2)25-22-27-26-21(30-22)17-4-3-11-24-18(17)7-5-15-9-12-23-13-10-15/h3-4,6,8-14H,5,7H2,1-2H3,(H,25,27)
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| InChIKey |
ZZYCYTFKFSOZMZ-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