General Information of the Compound
| Compound ID |
CP0146474
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| Compound Name |
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C27H31N9OS2
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| Molecular Weight |
561.741
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| Canonical SMILES |
CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
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| InChI |
InChI=1S/C27H31N9OS2/c1-18-5-3-7-34(13-18)16-21-9-25(39-33-21)32-26-27-29-12-23(36(27)14-19(2)31-26)20-10-30-35(15-20)17-24(37)28-11-22-6-4-8-38-22/h4,6,8-10,12,14-15,18H,3,5,7,11,13,16-17H2,1-2H3,(H,28,37)(H,31,32)
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| InChIKey |
IMRNKQWAMWWEKR-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