General Information of the Compound
| Compound ID |
CP0458865
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| Compound Name |
N-[2,2-dichloro-1-[(Z)-[[(6-chloropyridin-3-yl)amino]-(cyanoamino)methylidene]amino]propyl]-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C19H19Cl3N6O3
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| Molecular Weight |
485.759
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)NC(N\C(Nc1ccc(Cl)nc1)=N\C#N)C(C)(Cl)Cl
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| InChI |
InChI=1S/C19H19Cl3N6O3/c1-19(21,22)17(27-16(29)11-6-13(30-2)8-14(7-11)31-3)28-18(25-10-23)26-12-4-5-15(20)24-9-12/h4-9,17H,1-3H3,(H,27,29)(H2,25,26,28)
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| InChIKey |
ZVQYKWHRHJJUSJ-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