General Information of the Compound
| Compound ID |
CP0394915
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| Compound Name |
4,5,6,7-tetrafluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C27H29F4N3O3
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| Molecular Weight |
519.539
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F
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| InChI |
InChI=1S/C27H29F4N3O3/c1-15(2)37-19-6-4-3-5-18(19)33-13-11-32(12-14-33)16-7-9-17(10-8-16)34-26(35)20-21(27(34)36)23(29)25(31)24(30)22(20)28/h3-6,15-17H,7-14H2,1-2H3
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| InChIKey |
GFECFRLDYQFMGJ-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor