General Information of the Compound
| Compound ID |
CP0481720
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| Compound Name |
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H24FN5O3
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| Molecular Weight |
485.519
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| Canonical SMILES |
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](CN3C(=O)Cn3cncn3)c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C27H24FN5O3/c28-21-6-10-23(11-7-21)36-24-12-8-22(9-13-24)31-27(35)25-14-20(19-4-2-1-3-5-19)15-33(25)26(34)16-32-18-29-17-30-32/h1-13,17-18,20,25H,14-16H2,(H,31,35)/t20-,25+/m1/s1
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| InChIKey |
BWFDBTQUSYQXHN-NLFFAJNJSA-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