General Information of the Compound
| Compound ID |
CP0466342
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| Compound Name |
(1R,2R)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-4-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Formula |
C20H20ClF3N4O3S
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| Molecular Weight |
488.919
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| Canonical SMILES |
Nc1nccc(COc2cc(OC(F)(F)F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl
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| InChI |
InChI=1S/C20H20ClF3N4O3S/c21-16-10(5-6-26-18(16)25)9-30-11-7-14(31-20(22,23)24)17-15(8-11)32-19(28-17)27-12-3-1-2-4-13(12)29/h5-8,12-13,29H,1-4,9H2,(H2,25,26)(H,27,28)/t12-,13-/m1/s1
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| InChIKey |
KAROEHNWLQYYAB-CHWSQXEVSA-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