General Information of the Compound
| Compound ID |
CP0111776
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| Compound Name |
2-(Methylamino)pyrimidine 55
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| Structure |
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| Formula |
C30H29F3N6O2
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| Molecular Weight |
562.596
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C30H29F3N6O2/c1-19-8-9-20(17-26(19)41-28-22(7-6-13-35-28)23-12-14-36-29(34-2)38-23)27(40)37-24-18-21(30(31,32)33)10-11-25(24)39-15-4-3-5-16-39/h6-14,17-18H,3-5,15-16H2,1-2H3,(H,37,40)(H,34,36,38)
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| InChIKey |
OJRMOHAWDGZYFB-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