General Information of the Compound
| Compound ID |
CP0093775
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| Compound Name |
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]-4-phenylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H25FN4O3
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| Molecular Weight |
484.531
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| Canonical SMILES |
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](CN3C(=O)Cc3cnc[nH]3)c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C28H25FN4O3/c29-21-6-10-24(11-7-21)36-25-12-8-22(9-13-25)32-28(35)26-14-20(19-4-2-1-3-5-19)17-33(26)27(34)15-23-16-30-18-31-23/h1-13,16,18,20,26H,14-15,17H2,(H,30,31)(H,32,35)/t20-,26+/m1/s1
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| InChIKey |
KKOSHWJEFBAPQK-IBVKSMDESA-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