General Information of the Compound
| Compound ID |
CP0505475
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| Compound Name |
N-[4-[2-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C17H23N5OS
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| Molecular Weight |
345.472
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| Canonical SMILES |
CC(C)NC(N)=Nc1ccc(CCc2csc(NC(C)=O)n2)cc1
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| InChI |
InChI=1S/C17H23N5OS/c1-11(2)19-16(18)21-14-7-4-13(5-8-14)6-9-15-10-24-17(22-15)20-12(3)23/h4-5,7-8,10-11H,6,9H2,1-3H3,(H3,18,19,21)(H,20,22,23)
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| InChIKey |
MAGISGXUSXDIJE-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