General Information of the Compound
| Compound ID |
CP0343421
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| Compound Name |
(1S,2S)-2-[[4-methoxy-6-[[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Formula |
C23H27N7O3S
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| Molecular Weight |
481.582
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| Canonical SMILES |
COc1cc(OCc2ccnc(Nc3ccn(C)n3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12
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| InChI |
InChI=1S/C23H27N7O3S/c1-30-10-8-20(29-30)27-22-24-9-7-14(25-22)13-33-15-11-18(32-2)21-19(12-15)34-23(28-21)26-16-5-3-4-6-17(16)31/h7-12,16-17,31H,3-6,13H2,1-2H3,(H,26,28)(H,24,25,27,29)/t16-,17-/m0/s1
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| InChIKey |
OPERHRGKPSPOEG-IRXDYDNUSA-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