General Information of the Compound
| Compound ID |
CP0192621
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| Compound Name |
(2S,4R)-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H27FN4O3
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| Molecular Weight |
498.558
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| Canonical SMILES |
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4)CN3C(=O)Cc3cnc[nH]3)cc2)cc1
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| InChI |
InChI=1S/C29H27FN4O3/c30-22-6-10-25(11-7-22)37-26-12-8-23(9-13-26)33-29(36)27-15-21(14-20-4-2-1-3-5-20)18-34(27)28(35)16-24-17-31-19-32-24/h1-13,17,19,21,27H,14-16,18H2,(H,31,32)(H,33,36)/t21-,27+/m1/s1
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| InChIKey |
DHHGEOKAXUKQCM-ZBLYBZFDSA-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