General Information of the Compound
| Compound ID |
CP0161870
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| Compound Name |
2-(Methylamino)triazine 61
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| Structure |
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| Formula |
C30H33F3N8O2
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| Molecular Weight |
594.642
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
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| InChI |
InChI=1S/C30H33F3N8O2/c1-19-9-10-20(16-25(19)43-28-22(8-6-13-35-28)26-36-18-37-29(34-2)39-26)27(42)38-23-17-21(30(31,32)33)11-12-24(23)41(5)15-7-14-40(3)4/h6,8-13,16-18H,7,14-15H2,1-5H3,(H,38,42)(H,34,36,37,39)
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| InChIKey |
TYDADJOKJRXQDT-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