General Information of the Compound
| Compound ID |
CP0541672
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| Compound Name |
1-((R)-2-Amino-2-phenyl-ethyl)-3-cyclohexylmethyl-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C25H29FN4O4
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| Molecular Weight |
468.529
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(CC2CCCCC2)c1=O
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| InChI |
InChI=1S/C25H29FN4O4/c1-34-21-14-8-13-20(22(21)26)30-24(32)28(15-17-9-4-2-5-10-17)23(31)29(25(30)33)16-19(27)18-11-6-3-7-12-18/h3,6-8,11-14,17,19H,2,4-5,9-10,15-16,27H2,1H3/t19-/m0/s1
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| InChIKey |
LBNPEUXZMBXEEI-IBGZPJMESA-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