General Information of the Compound
| Compound ID |
CP0111761
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| Compound Name |
2-(Methylamino)pyrimidine 52
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| Structure |
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| Formula |
C29H27F3N6O2
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| Molecular Weight |
548.569
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C29H27F3N6O2/c1-33-28-35-14-12-23(37-28)22-9-6-13-34-27(22)40-21-8-5-7-19(17-21)26(39)36-24-18-20(29(30,31)32)10-11-25(24)38-15-3-2-4-16-38/h5-14,17-18H,2-4,15-16H2,1H3,(H,36,39)(H,33,35,37)
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| InChIKey |
LGDNUDSMQOSWOV-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