General Information of the Compound
| Compound ID |
CP0526660
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| Compound Name |
2-(Methylamino)pyrimidine 53
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| Structure |
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| Formula |
C29H26F4N6O2
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| Molecular Weight |
566.559
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1F)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C29H26F4N6O2/c1-34-28-36-13-11-22(38-28)20-6-5-12-35-27(20)41-25-16-18(7-9-21(25)30)26(40)37-23-17-19(29(31,32)33)8-10-24(23)39-14-3-2-4-15-39/h5-13,16-17H,2-4,14-15H2,1H3,(H,37,40)(H,34,36,38)
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| InChIKey |
PKXWIRGLQUSSIB-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