General Information of the Compound
| Compound ID |
CP0546323
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| Compound Name |
cyclopentyl-[4-[[2-methyl-3-([1,3]thiazolo[4,5-b]pyrazin-2-ylamino)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H28N6OS
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| Molecular Weight |
436.585
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)C(=O)C2CCCC2)cccc1Nc1nc2nccnc2s1
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| InChI |
InChI=1S/C23H28N6OS/c1-16-18(15-28-11-13-29(14-12-28)22(30)17-5-2-3-6-17)7-4-8-19(16)26-23-27-20-21(31-23)25-10-9-24-20/h4,7-10,17H,2-3,5-6,11-15H2,1H3,(H,24,26,27)
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| InChIKey |
XIUKPVVODCPELK-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