General Information of the Compound
| Compound ID |
CP0219505
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| Compound Name |
(1S,2S)-2-[[4-methoxy-6-[[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Structure |
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| Formula |
C22H24N6O4S
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| Molecular Weight |
468.539
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| Canonical SMILES |
COc1cc(OCc2ccnc(Nc3cnoc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12
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| InChI |
InChI=1S/C22H24N6O4S/c1-30-18-8-15(31-11-13-6-7-23-21(25-13)26-14-10-24-32-12-14)9-19-20(18)28-22(33-19)27-16-4-2-3-5-17(16)29/h6-10,12,16-17,29H,2-5,11H2,1H3,(H,27,28)(H,23,25,26)/t16-,17-/m0/s1
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| InChIKey |
UHWDFDJNNVDHDN-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