General Information of the Compound
| Compound ID |
CP0460212
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| Compound Name |
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(9H-fluoren-2-ylmethyl)-3-fluorobutan-1-amine
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| Structure |
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| Formula |
C28H30Cl2FN3
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| Molecular Weight |
498.473
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| Canonical SMILES |
FC(CCNCc1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C28H30Cl2FN3/c29-26-6-3-7-27(28(26)30)34-14-12-33(13-15-34)19-23(31)10-11-32-18-20-8-9-25-22(16-20)17-21-4-1-2-5-24(21)25/h1-9,16,23,32H,10-15,17-19H2
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| InChIKey |
FVIINRQKSXAKLE-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