General Information of the Compound
| Compound ID |
CP0501255
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| Compound Name |
4-chloro-N-[2,2-dichloro-1-[(E)-[(cyanoamino)-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]amino]methylidene]amino]propyl]benzamide
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| Structure |
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| Formula |
C19H16Cl3F3N6O
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| Molecular Weight |
507.731
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| Canonical SMILES |
Cc1nc(ccc1N\C(NC(NC(=O)c1ccc(Cl)cc1)C(C)(Cl)Cl)=N/C#N)C(F)(F)F
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| InChI |
InChI=1S/C19H16Cl3F3N6O/c1-10-13(7-8-14(28-10)19(23,24)25)29-17(27-9-26)31-16(18(2,21)22)30-15(32)11-3-5-12(20)6-4-11/h3-8,16H,1-2H3,(H,30,32)(H2,27,29,31)
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| InChIKey |
DRIGSZZSKHBNCR-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