General Information of the Compound
| Compound ID |
CP0057834
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| Compound Name |
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C27H30N4O
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| Molecular Weight |
426.564
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
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| InChIKey |
PVDOYAVBGNHRBV-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