General Information of the Compound
| Compound ID |
CP0381583
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| Compound Name |
5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
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| InChIKey |
CGCDEESEQCYCIB-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