General Information of the Compound
| Compound ID |
CP0284401
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| Compound Name |
2,2-dimethylpropyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate
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| Structure |
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| Formula |
C21H23N5O2S2
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| Molecular Weight |
441.582
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| Canonical SMILES |
Cc1csc(n1)-c1[nH]c(CNC(=O)OCC(C)(C)C)nc1-c1ccc2ncsc2c1
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| InChI |
InChI=1S/C21H23N5O2S2/c1-12-9-29-19(24-12)18-17(13-5-6-14-15(7-13)30-11-23-14)25-16(26-18)8-22-20(27)28-10-21(2,3)4/h5-7,9,11H,8,10H2,1-4H3,(H,22,27)(H,25,26)
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| InChIKey |
AIUNBPHYOYNUPA-UHFFFAOYSA-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