General Information of the Compound
| Compound ID |
CP0399802
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| Compound Name |
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-methoxy-phenyl)-5-(2-methyl-benzyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C26H25FN4O4
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| Molecular Weight |
476.508
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C)c1=O
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| InChI |
InChI=1S/C26H25FN4O4/c1-17-9-6-7-12-19(17)15-29-24(32)30(16-20(28)18-10-4-3-5-11-18)26(34)31(25(29)33)21-13-8-14-22(35-2)23(21)27/h3-14,20H,15-16,28H2,1-2H3/t20-/m0/s1
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| InChIKey |
YGCSWHSHSWSFCM-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