General Information of the Compound
| Compound ID |
CP0550804
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| Compound Name |
(S)-tert-Butyl 2-(((2-(2-(methylthio)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzo[d]oxazol-4-yl)oxy)methyl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C22H25N5O4S2
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| Molecular Weight |
487.607
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2c(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cccc2o1
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| InChI |
InChI=1S/C22H25N5O4S2/c1-22(2,3)31-21(28)26-10-6-7-13(26)12-29-15-8-5-9-16-17(15)24-18(30-16)14-11-27-19(23-14)33-20(25-27)32-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3/t13-/m0/s1
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| InChIKey |
YJCVQEMEWFOICL-ZDUSSCGKSA-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