General Information of the Compound
| Compound ID |
CP0522739
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| Compound Name |
N-[4-[2-[4-[[amino(dimethylamino)methylidene]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 |
CN(C)C(N)=Nc1ccc(CCc2csc(NC(C)=O)n2)cc1
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| InChI |
InChI=1S/C16H21N5OS/c1-11(22)18-16-20-14(10-23-16)9-6-12-4-7-13(8-5-12)19-15(17)21(2)3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,17,19)(H,18,20,22)
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| InChIKey |
MDZQBLSEXXPWPP-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