General Information of the Compound
| Compound ID |
CP0534978
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| Compound Name |
N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C33H42N12O2
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| Molecular Weight |
638.781
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
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| InChI |
InChI=1S/C33H42N12O2/c1-22-16-29(41-40-22)37-28-18-26(24-20-34-45(21-24)11-10-44-12-14-47-15-13-44)36-32(38-28)35-25-8-6-23(7-9-25)17-31(46)39-30-19-27(33(2,3)4)42-43(30)5/h6-9,16,18-21H,10-15,17H2,1-5H3,(H,39,46)(H3,35,36,37,38,40,41)
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| InChIKey |
RWSUQBPKJYHLJM-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