General Information of the Compound
| Compound ID |
CP0462379
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| Compound Name |
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C16H21N5OS
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| Molecular Weight |
331.445
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| Canonical SMILES |
CCNC(N)=Nc1ccc(CCc2csc(NC(C)=O)n2)cc1
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| InChI |
InChI=1S/C16H21N5OS/c1-3-18-15(17)20-13-7-4-12(5-8-13)6-9-14-10-23-16(21-14)19-11(2)22/h4-5,7-8,10H,3,6,9H2,1-2H3,(H3,17,18,20)(H,19,21,22)
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| InChIKey |
FQKMASWZJFWBQY-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