General Information of the Compound
| Compound ID |
CP0146469
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| Compound Name |
N-[6-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
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| Structure |
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| Formula |
C28H28N10OS
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| Molecular Weight |
552.668
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| Canonical SMILES |
Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(no2)-c2ccccc2)c1
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| InChI |
InChI=1S/C28H28N10OS/c1-19-15-38-23(21-13-30-37(16-21)18-24-32-26(34-39-24)20-8-4-2-5-9-20)14-29-28(38)27(31-19)33-25-12-22(35-40-25)17-36-10-6-3-7-11-36/h2,4-5,8-9,12-16H,3,6-7,10-11,17-18H2,1H3,(H,31,33)
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| InChIKey |
KBEMBPBFYDFWAD-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