General Information of the Compound
| Compound ID |
CP0675722
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| Compound Name |
4-(2-(4-(6-methyl-8-(3-((3-methylpiperidin-1-yl)methyl)isothiazol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl)-1H-pyrazol-1-yl)acetamido)pyridine 1-oxide
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| Formula |
C27H30N10O2S
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| Molecular Weight |
558.672
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| Canonical SMILES |
Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
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| InChI |
InChI=1S/C27H30N10O2S/c1-18-4-3-7-34(13-18)16-22-10-25(40-33-22)32-26-27-28-12-23(37(27)14-19(2)30-26)20-11-29-35(15-20)17-24(38)31-21-5-8-36(39)9-6-21/h5-6,8-12,14-15,18H,3-4,7,13,16-17H2,1-2H3,(H,30,32)(H,31,38)
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| InChIKey |
ZXMSLCHJMUQKLG-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