General Information of the Compound
| Compound ID |
CP0285297
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| Compound Name |
2-(Methylamino)triazine 62
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| Structure |
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| Formula |
C28H25F4N7O2
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| Molecular Weight |
567.547
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C28H25F4N7O2/c1-33-27-36-16-35-24(38-27)19-6-5-11-34-26(19)41-18-8-9-21(29)20(15-18)25(40)37-22-14-17(28(30,31)32)7-10-23(22)39-12-3-2-4-13-39/h5-11,14-16H,2-4,12-13H2,1H3,(H,37,40)(H,33,35,36,38)
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| InChIKey |
QWGLBOWQKIXGQN-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