General Information of the Compound
| Compound ID |
CP0415738
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| Compound Name |
4-(4-(2,6-difluorobenzyl)piperazin-1-yl)-2-(3,4-dimethoxybenzyl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C28H27F2N3O4
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| Molecular Weight |
507.537
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| Canonical SMILES |
COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC
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| InChI |
InChI=1S/C28H27F2N3O4/c1-36-24-10-9-18(15-25(24)37-2)16-33-27(34)19-5-3-8-23(26(19)28(33)35)32-13-11-31(12-14-32)17-20-21(29)6-4-7-22(20)30/h3-10,15H,11-14,16-17H2,1-2H3
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| InChIKey |
WPRDJOXSKKQDNA-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
Protein ID: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor