General Information of the Compound
| Compound ID |
CP0505883
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| Compound Name |
4-N-[[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C21H23FN6
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| Molecular Weight |
378.455
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(NC[C@H]2C[C@@H]2c2ccc(F)cc2)n1)c1ccccc1
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| InChI |
InChI=1S/C21H23FN6/c1-13(14-5-3-2-4-6-14)25-21-27-19(23)26-20(28-21)24-12-16-11-18(16)15-7-9-17(22)10-8-15/h2-10,13,16,18H,11-12H2,1H3,(H4,23,24,25,26,27,28)/t13-,16+,18+/m0/s1
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| InChIKey |
JZHXBGPGAVVFBE-FDQGKXFDSA-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