General Information of the Compound
| Compound ID |
CP0458204
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| Compound Name |
7-[(2-aminocyclohexyl)amino]-8-chloro-5-(3-methylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
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| Structure |
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| Formula |
C20H23ClN6O
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| Molecular Weight |
398.898
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| Canonical SMILES |
Cc1cccc(Nc2nc(NC3CCCCC3N)c(Cl)c3cn[nH]c(=O)c23)c1
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| InChI |
InChI=1S/C20H23ClN6O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-27-20(16)28)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9-10,14-15H,2-3,7-8,22H2,1H3,(H,27,28)(H2,24,25,26)
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| InChIKey |
YIFKWRHDBDXBPE-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