General Information of the Compound
| Compound ID |
CP0190973
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]-5-methoxy-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H27Cl2FN4O2
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| Molecular Weight |
493.41
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C24H27Cl2FN4O2/c1-33-18-5-6-20-16(13-18)14-21(29-20)24(32)28-8-7-17(27)15-30-9-11-31(12-10-30)22-4-2-3-19(25)23(22)26/h2-6,13-14,17,29H,7-12,15H2,1H3,(H,28,32)
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| InChIKey |
WBGWXELVCBHOMZ-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