General Information of the Compound
| Compound ID |
CP0414817
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| Compound Name |
N-[(3S)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C23H24Cl2FN3O2
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| Molecular Weight |
464.368
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| Canonical SMILES |
F[C@@H](CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)/t17-/m0/s1
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| InChIKey |
LRBUVURCWWAQQT-KRWDZBQOSA-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
Protein ID: PT01161, D(4) dopamine receptor