General Information of the Compound
| Compound ID |
CP0408751
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| Compound Name |
CHEMBL4211037
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| Formula |
C23H24F3N3O6
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| Molecular Weight |
495.454
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| Canonical SMILES |
OC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C23H24F3N3O6/c24-23(25,26)35-19-11-5-16(6-12-19)29-22(33)28-15-3-9-18(10-4-15)34-17-7-1-14(2-8-17)21(32)27-13-20(30)31/h1-2,5-8,11-12,15,18H,3-4,9-10,13H2,(H,27,32)(H,30,31)(H2,28,29,33)/t15-,18-
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| InChIKey |
AJDPQOBDAJWFMH-RZDIXWSQSA-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
Protein ID: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01099, Fatty-acid amide hydrolase 1