General Information of the Compound
| Compound ID |
CP0415969
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| Compound Name |
CHEMBL4214874
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| Formula |
C23H23F3N4O4
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| Molecular Weight |
476.455
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| Canonical SMILES |
Cc1nnc(o1)-c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C23H23F3N4O4/c1-14-29-30-21(32-14)15-2-8-18(9-3-15)33-19-10-4-16(5-11-19)27-22(31)28-17-6-12-20(13-7-17)34-23(24,25)26/h2-3,6-9,12-13,16,19H,4-5,10-11H2,1H3,(H2,27,28,31)/t16-,19-
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| InChIKey |
AFUUIIKEMWORBM-RUCARUNLSA-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