General Information of the Compound
| Compound ID |
CP0947337
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| Compound Name |
(S)-N-(4-((4-(2H-tetrazol-5-yl)benzyl)oxy)benzyl)-1-(4-fluorobenzyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H25FN6O3
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| Molecular Weight |
500.534
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| Canonical SMILES |
O=C(NCc1ccc(OCc2ccc(-c3nn[nH]n3)cc2)cc1)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C27H25FN6O3/c28-22-9-3-19(4-10-22)16-34-24(13-14-25(34)35)27(36)29-15-18-5-11-23(12-6-18)37-17-20-1-7-21(8-2-20)26-30-32-33-31-26/h1-12,24H,13-17H2,(H,29,36)(H,30,31,32,33)/t24-/m0/s1
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| InChIKey |
BTYIOVIPZXKUPY-DEOSSOPVSA-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