General Information of the Compound
| Compound ID |
CP0068430
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| Compound Name |
2-[3-(3-methoxy-5-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
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| Structure |
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| Formula |
C28H30N8O2
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| Molecular Weight |
510.602
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| Canonical SMILES |
COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1
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| InChI |
InChI=1S/C28H30N8O2/c1-20-14-22(16-23(15-20)37-2)27-24(19-36(34-27)8-5-29)25-17-26(31-7-9-35-10-12-38-13-11-35)33-28(32-25)21-4-3-6-30-18-21/h3-4,6,14-19H,7-13H2,1-2H3,(H,31,32,33)
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| InChIKey |
BUFPQXRLSMHRJW-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