General Information of the Compound
| Compound ID |
CP0497301
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| Compound Name |
1-[3-Amino-3-(2-chloro-phenyl)-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 |
C26H23ClF2N4O4
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| Molecular Weight |
528.943
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2Cl)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C26H23ClF2N4O4/c1-37-17-7-4-6-16(14-17)33-25(35)31(13-12-23(30)18-8-2-3-9-20(18)27)24(34)32(26(33)36)15-19-21(28)10-5-11-22(19)29/h2-11,14,23H,12-13,15,30H2,1H3
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| InChIKey |
XQZJMVTZEMKIHB-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