General Information of the Compound
| Compound ID |
CP0352629
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| Compound Name |
(1S,2S)-2-[[4-methoxy-6-[[2-(pyridin-3-ylamino)pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Formula |
C24H26N6O3S
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| Molecular Weight |
478.578
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| Canonical SMILES |
COc1cc(OCc2ccnc(Nc3cccnc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12
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| InChI |
InChI=1S/C24H26N6O3S/c1-32-20-11-17(12-21-22(20)30-24(34-21)29-18-6-2-3-7-19(18)31)33-14-16-8-10-26-23(28-16)27-15-5-4-9-25-13-15/h4-5,8-13,18-19,31H,2-3,6-7,14H2,1H3,(H,29,30)(H,26,27,28)/t18-,19-/m0/s1
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| InChIKey |
AHQHOYXMLVDGGM-OALUTQOASA-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