General Information of the Compound
| Compound ID |
CP0114701
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| Compound Name |
4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C18H15ClN4O2
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| Molecular Weight |
354.797
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| Canonical SMILES |
CCc1nc(Nc2ccc(cc2)C(O)=O)nc(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H15ClN4O2/c1-2-15-21-16(12-4-3-5-13(19)10-12)23-18(22-15)20-14-8-6-11(7-9-14)17(24)25/h3-10H,2H2,1H3,(H,24,25)(H,20,21,22,23)
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| InChIKey |
RCYLJCYBPIGHQV-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