General Information of the Compound
| Compound ID |
CP0522738
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| Compound Name |
N-[4-[2-[4-(aminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C14H16N4OS
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| Molecular Weight |
288.376
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(cc2)N=CN)cs1
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| InChI |
InChI=1S/C14H16N4OS/c1-10(19)17-14-18-13(8-20-14)7-4-11-2-5-12(6-3-11)16-9-15/h2-3,5-6,8-9H,4,7H2,1H3,(H2,15,16)(H,17,18,19)
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| InChIKey |
VBSRRIQNWQNSAB-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