General Information of the Compound
| Compound ID |
CP0463117
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| Compound Name |
N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[(6-fluoropyridin-3-yl)amino]methylidene]amino]propyl]-3-methylbenzamide
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| Structure |
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| Formula |
C18H17Cl2FN6O
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| Molecular Weight |
423.279
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| Canonical SMILES |
Cc1cccc(c1)C(=O)NC(N\C(Nc1ccc(F)nc1)=N\C#N)C(C)(Cl)Cl
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| InChI |
InChI=1S/C18H17Cl2FN6O/c1-11-4-3-5-12(8-11)15(28)26-16(18(2,19)20)27-17(24-10-22)25-13-6-7-14(21)23-9-13/h3-9,16H,1-2H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
FPLPBYRFXXEWSG-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