General Information of the Compound
| Compound ID |
CP0352626
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| Compound Name |
N-[4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]pyridin-2-yl]acetamide
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| Formula |
C22H26N4O4S
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| Molecular Weight |
442.541
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| Canonical SMILES |
COc1cc(OCc2ccnc(NC(C)=O)c2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12
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| InChI |
InChI=1S/C22H26N4O4S/c1-13(27)24-20-9-14(7-8-23-20)12-30-15-10-18(29-2)21-19(11-15)31-22(26-21)25-16-5-3-4-6-17(16)28/h7-11,16-17,28H,3-6,12H2,1-2H3,(H,25,26)(H,23,24,27)/t16-,17-/m1/s1
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| InChIKey |
RDBUGEQMUYFTQS-IAGOWNOFSA-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