General Information of the Compound
| Compound ID |
CP0539677
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| Compound Name |
N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[(6-fluoropyridin-3-yl)amino]methylidene]amino]propyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C15H13Cl2FN6OS
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| Molecular Weight |
415.281
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| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1ccc(F)nc1)=N\C#N)NC(=O)c1cccs1
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| InChI |
InChI=1S/C15H13Cl2FN6OS/c1-15(16,17)13(23-12(25)10-3-2-6-26-10)24-14(21-8-19)22-9-4-5-11(18)20-7-9/h2-7,13H,1H3,(H,23,25)(H2,21,22,24)
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| InChIKey |
LHSQFXKKQLNRFJ-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