General Information of the Compound
| Compound ID |
CP0912062
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| Compound Name |
(1S,2S)-2-[[4-methoxy-6-[[2-(1H-pyrazol-3-ylamino)pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexanol
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| Formula |
C22H25N7O3S
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| Molecular Weight |
467.555
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| Canonical SMILES |
COc1cc(OCc2ccnc(Nc3cc[nH]n3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12
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| InChI |
InChI=1S/C22H25N7O3S/c1-31-17-10-14(32-12-13-6-8-23-21(25-13)27-19-7-9-24-29-19)11-18-20(17)28-22(33-18)26-15-4-2-3-5-16(15)30/h6-11,15-16,30H,2-5,12H2,1H3,(H,26,28)(H2,23,24,25,27,29)/t15-,16-/m0/s1
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| InChIKey |
LZOSXHNHJNCJLH-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