General Information of the Compound
| Compound ID |
CP0408959
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| Compound Name |
N-[amino-[methyl-(3-methylphenyl)sulfanylamino]methylidene]-4-methylbenzamide
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| Structure |
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| Formula |
C17H19N3OS
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| Molecular Weight |
313.426
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| Canonical SMILES |
CN(Sc1cccc(C)c1)C(=N)NC(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C17H19N3OS/c1-12-7-9-14(10-8-12)16(21)19-17(18)20(3)22-15-6-4-5-13(2)11-15/h4-11H,1-3H3,(H2,18,19,21)
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| InChIKey |
IBAOZIZXCVMXKY-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