General Information of the Compound
| Compound ID |
CP0497359
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| Compound Name |
1-((S)-3-Amino-3-phenyl-propyl)-3-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C26H23F3N4O4
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| Molecular Weight |
512.488
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(CC[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C26H23F3N4O4/c1-37-22-12-6-11-21(23(22)29)33-25(35)31(14-13-20(30)16-7-3-2-4-8-16)24(34)32(26(33)36)15-17-18(27)9-5-10-19(17)28/h2-12,20H,13-15,30H2,1H3/t20-/m0/s1
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| InChIKey |
VBQOPVRVJRANQO-FQEVSTJZSA-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