General Information of the Compound
| Compound ID |
CP0542169
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| Compound Name |
N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[[6-(trifluoromethyl)pyridin-3-yl]amino]methylidene]amino]propyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C16H13Cl2F3N6OS
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| Molecular Weight |
465.288
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| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1ccc(nc1)C(F)(F)F)=N\C#N)NC(=O)c1cccs1
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| InChI |
InChI=1S/C16H13Cl2F3N6OS/c1-15(17,18)13(26-12(28)10-3-2-6-29-10)27-14(24-8-22)25-9-4-5-11(23-7-9)16(19,20)21/h2-7,13H,1H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
NMMPSCIKLALKGF-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