General Information of the Compound
| Compound ID |
CP0095154
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| Compound Name |
5-[2-Benzyl-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-pentylamino]-3H-isobenzofuran-1-one
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| Structure |
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| Formula |
C28H30FNO4
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| Molecular Weight |
463.549
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| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2C(=O)OCc2c1)Cc1ccccc1
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| InChI |
InChI=1S/C28H30FNO4/c1-27(2,24-14-21(29)9-12-25(24)33-3)17-28(32,15-19-7-5-4-6-8-19)18-30-22-10-11-23-20(13-22)16-34-26(23)31/h4-14,30,32H,15-18H2,1-3H3
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| InChIKey |
QQFIDVOPZHXZPF-UHFFFAOYSA-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