General Information of the Compound
| Compound ID |
CP0341599
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| Compound Name |
4-[[4-[cyclohexyl(methyl)amino]pyrimidin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
CN(C1CCCCC1)c1ccnc(Nc2ccc(cc2)C(O)=O)n1
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| InChI |
InChI=1S/C18H22N4O2/c1-22(15-5-3-2-4-6-15)16-11-12-19-18(21-16)20-14-9-7-13(8-10-14)17(23)24/h7-12,15H,2-6H2,1H3,(H,23,24)(H,19,20,21)
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| InChIKey |
SNXSBHRORYNWID-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