General Information of the Compound
| Compound ID |
CP0258606
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| Compound Name |
(1R,2R)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-4-fluoro-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Formula |
C19H20ClFN4O2S
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| Molecular Weight |
422.913
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| Canonical SMILES |
Nc1nccc(COc2cc(F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl
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| InChI |
InChI=1S/C19H20ClFN4O2S/c20-16-10(5-6-23-18(16)22)9-27-11-7-12(21)17-15(8-11)28-19(25-17)24-13-3-1-2-4-14(13)26/h5-8,13-14,26H,1-4,9H2,(H2,22,23)(H,24,25)/t13-,14-/m1/s1
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| InChIKey |
KTRYEZRTYBBSHL-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