General Information of the Compound
| Compound ID |
CP0154933
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 44
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| Structure |
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| Formula |
C22H19N5O3
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| Molecular Weight |
401.426
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| Canonical SMILES |
C(Cc1ncccc1-c1nnc(NCc2ccc3OCOc3c2)o1)c1ccncc1
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| InChI |
InChI=1S/C22H19N5O3/c1-2-17(18(24-9-1)5-3-15-7-10-23-11-8-15)21-26-27-22(30-21)25-13-16-4-6-19-20(12-16)29-14-28-19/h1-2,4,6-12H,3,5,13-14H2,(H,25,27)
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| InChIKey |
VBWJHDNMLSZEGW-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