General Information of the Compound
| Compound ID |
CP0562644
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| Compound Name |
(1R,2R)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Structure |
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| Formula |
C20H23ClN4O3S
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| Molecular Weight |
434.949
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| Canonical SMILES |
COc1cc(OCc2ccnc(N)c2Cl)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12
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| InChI |
InChI=1S/C20H23ClN4O3S/c1-27-15-8-12(28-10-11-6-7-23-19(22)17(11)21)9-16-18(15)25-20(29-16)24-13-4-2-3-5-14(13)26/h6-9,13-14,26H,2-5,10H2,1H3,(H2,22,23)(H,24,25)/t13-,14-/m1/s1
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| InChIKey |
DICVVUCQTSNJLU-ZIAGYGMSSA-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