General Information of the Compound
| Compound ID |
CP0162636
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| Compound Name |
2-(Methylamino)triazine 64
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| Structure |
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| Formula |
C31H37FN8O2
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| Molecular Weight |
572.689
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(C)C
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| InChI |
InChI=1S/C31H37FN8O2/c1-20(2)21-10-13-27(40(6)16-8-15-39(4)5)26(17-21)37-29(41)24-18-22(11-12-25(24)32)42-30-23(9-7-14-34-30)28-35-19-36-31(33-3)38-28/h7,9-14,17-20H,8,15-16H2,1-6H3,(H,37,41)(H,33,35,36,38)
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| InChIKey |
RPYXKMBWDGGRIV-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