General Information of the Compound
| Compound ID |
CP0537570
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| Compound Name |
N-[1-[(Z)-[[(5-bromopyridin-3-yl)amino]-(cyanoamino)methylidene]amino]-2,2-dichloropropyl]-3-chlorobenzamide
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| Structure |
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| Formula |
C17H14BrCl3N6O
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| Molecular Weight |
504.603
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| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1cncc(Br)c1)=N\C#N)NC(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C17H14BrCl3N6O/c1-17(20,21)15(26-14(28)10-3-2-4-12(19)5-10)27-16(24-9-22)25-13-6-11(18)7-23-8-13/h2-8,15H,1H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
BPBHPPHRTXMKOI-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