General Information of the Compound
| Compound ID |
CP0381460
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| Compound Name |
N-[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]butyl]-7-methoxy-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H29N5O3/c1-32-21-10-6-7-18-17-22(33-23(18)21)24(31)26-11-4-5-12-29-13-15-30(16-14-29)25-27-19-8-2-3-9-20(19)28-25/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,26,31)(H,27,28)
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| InChIKey |
BGNLEFFBMRBOQF-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