General Information of the Compound
| Compound ID |
CP0556421
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| Compound Name |
(1S,2S)-2-[[4-methoxy-6-[[2-[(1-methyltriazol-4-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Structure |
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| Formula |
C22H26N8O3S
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| Molecular Weight |
482.57
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| Canonical SMILES |
COc1cc(OCc2ccnc(Nc3cn(C)nn3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12
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| InChI |
InChI=1S/C22H26N8O3S/c1-30-11-19(28-29-30)26-21-23-8-7-13(24-21)12-33-14-9-17(32-2)20-18(10-14)34-22(27-20)25-15-5-3-4-6-16(15)31/h7-11,15-16,31H,3-6,12H2,1-2H3,(H,25,27)(H,23,24,26)/t15-,16-/m0/s1
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| InChIKey |
YNMOKWHHWDXEFZ-HOTGVXAUSA-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