General Information of the Compound
| Compound ID |
CP0273713
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]-5-methoxy-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C24H26Cl2FN3O3
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| Molecular Weight |
494.394
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| Canonical SMILES |
COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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| InChIKey |
TXDNMFSXILPGFK-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