General Information of the Compound
| Compound ID |
CP0019306
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| Compound Name |
4-amino-6-[[(1S)-1-[6-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C26H27N7OS
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| Molecular Weight |
485.617
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1
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| InChI |
InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1
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| InChIKey |
ITLXLQIYXORZBH-KRWDZBQOSA-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