General Information of the Compound
| Compound ID |
CP0089305
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| Compound Name |
3-[1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
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| Structure |
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| Formula |
C27H26N6O2
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| Molecular Weight |
466.545
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| Canonical SMILES |
CN(C)CCCOc1cnc(nc1)-c1cccc(Cn2nc(ccc2=O)-c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C27H26N6O2/c1-32(2)12-5-13-35-24-17-29-27(30-18-24)23-9-4-7-21(15-23)19-33-26(34)11-10-25(31-33)22-8-3-6-20(14-22)16-28/h3-4,6-11,14-15,17-18H,5,12-13,19H2,1-2H3
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| InChIKey |
PPCTYYSLBWDGHQ-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