General Information of the Compound
| Compound ID |
CP0436420
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| Compound Name |
1-(3-Amino-3-o-tolyl-propyl)-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C27H26F2N4O4
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| Molecular Weight |
508.525
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2C)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C27H26F2N4O4/c1-17-7-3-4-10-20(17)24(30)13-14-31-25(34)32(16-21-22(28)11-6-12-23(21)29)27(36)33(26(31)35)18-8-5-9-19(15-18)37-2/h3-12,15,24H,13-14,16,30H2,1-2H3
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| InChIKey |
FNDVKVRTBILOBS-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