General Information of the Compound
| Compound ID |
CP0089303
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| Compound Name |
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
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| Structure |
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| Formula |
C28H26N6O3
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| Molecular Weight |
494.555
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| Canonical SMILES |
O=c1ccc(nn1Cc1cccc(c1)-c1ncc(OCCN2CCOCC2)cn1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C28H26N6O3/c29-17-21-3-1-5-23(15-21)26-7-8-27(35)34(32-26)20-22-4-2-6-24(16-22)28-30-18-25(19-31-28)37-14-11-33-9-12-36-13-10-33/h1-8,15-16,18-19H,9-14,20H2
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| InChIKey |
QWPIOCUTERMEOV-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