General Information of the Compound
| Compound ID |
CP0579140
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| Compound Name |
2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C35H46N10O2
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| Molecular Weight |
638.821
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)N3CCN(CCN4CCOCC4)CC3)cc2)cc1
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| InChI |
InChI=1S/C35H46N10O2/c1-25(2)28-6-10-29(11-7-28)36-34(46)23-27-4-8-30(9-5-27)37-35-39-31(38-32-22-26(3)41-42-32)24-33(40-35)45-16-14-43(15-17-45)12-13-44-18-20-47-21-19-44/h4-11,22,24-25H,12-21,23H2,1-3H3,(H,36,46)(H3,37,38,39,40,41,42)
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| InChIKey |
USMMHWKHENABMY-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