General Information of the Compound
| Compound ID |
CP0530306
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| Compound Name |
N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[[6-(trifluoromethyl)pyridin-3-yl]amino]methylidene]amino]propyl]-3,5-difluorobenzamide
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| Structure |
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| Formula |
C18H13Cl2F5N6O
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| Molecular Weight |
495.239
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| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1ccc(nc1)C(F)(F)F)=N\C#N)NC(=O)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C18H13Cl2F5N6O/c1-17(19,20)15(30-14(32)9-4-10(21)6-11(22)5-9)31-16(28-8-26)29-12-2-3-13(27-7-12)18(23,24)25/h2-7,15H,1H3,(H,30,32)(H2,28,29,31)
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| InChIKey |
AKRCFPVGGYKXJI-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