General Information of the Compound
| Compound ID |
CP0111772
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| Compound Name |
2-(Methylamino)pyrimidine 58
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| Structure |
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| Formula |
C30H31F4N7O2
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| Molecular Weight |
597.617
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
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| InChI |
InChI=1S/C30H31F4N7O2/c1-35-29-37-14-12-24(39-29)21-7-5-13-36-28(21)43-20-9-10-23(31)22(18-20)27(42)38-25-17-19(30(32,33)34)8-11-26(25)41(4)16-6-15-40(2)3/h5,7-14,17-18H,6,15-16H2,1-4H3,(H,38,42)(H,35,37,39)
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| InChIKey |
CRIVQNIFBMFYFY-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