General Information of the Compound
| Compound ID |
CP0289769
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| Compound Name |
2-(Methylamino)triazine 65
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| Structure |
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| Formula |
C31H35FN8O2
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| Molecular Weight |
570.673
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C1CC1
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| InChI |
InChI=1S/C31H35FN8O2/c1-33-31-36-19-35-28(38-31)23-7-5-14-34-30(23)42-22-11-12-25(32)24(18-22)29(41)37-26-17-21(20-8-9-20)10-13-27(26)40(4)16-6-15-39(2)3/h5,7,10-14,17-20H,6,8-9,15-16H2,1-4H3,(H,37,41)(H,33,35,36,38)
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| InChIKey |
ONNAUHNPKVGFEK-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