General Information of the Compound
| Compound ID |
CP0541673
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| Compound Name |
2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-methoxy-phenyl)-2,4,6-trioxo-[1,3,5]triazinan-1-ylmethyl]-3-chloro-benzonitrile
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| Structure |
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| Formula |
C26H21ClFN5O4
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| Molecular Weight |
521.936
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| Canonical SMILES |
COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(Cl)cccc2C#N)c1=O
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| InChI |
InChI=1S/C26H21ClFN5O4/c1-37-22-12-6-11-21(23(22)28)33-25(35)31(14-18-17(13-29)9-5-10-19(18)27)24(34)32(26(33)36)15-20(30)16-7-3-2-4-8-16/h2-12,20H,14-15,30H2,1H3/t20-/m0/s1
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| InChIKey |
SWCPWEBJMMWDDP-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