General Information of the Compound
| Compound ID |
CP0444328
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| Compound Name |
CHEMBL4214503
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| Formula |
C28H28F3N3O4
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| Molecular Weight |
527.543
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C28H28F3N3O4/c29-28(30,31)38-25-16-10-22(11-17-25)34-27(36)33-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(35)32-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H,32,35)(H2,33,34,36)/t21-,24-
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| InChIKey |
RQYALAYIYUWXBU-SAIGFBBZSA-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