General Information of the Compound
| Compound ID |
CP0371911
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| Compound Name |
2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)butyl)-1-isoindolinone
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| Structure |
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| Formula |
C23H26F3N3O
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| Molecular Weight |
417.475
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C23H26F3N3O/c24-23(25,26)19-7-5-8-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-17-18-6-1-2-9-21(18)22(29)30/h1-2,5-9,16H,3-4,10-15,17H2
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| InChIKey |
CROXIASATJXZSZ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor