General Information of the Compound
| Compound ID |
CP0515941
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| Compound Name |
7-methoxy-N-(4-(4-(quinoxalin-5-yl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc2nccnc12
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| InChI |
InChI=1S/C26H29N5O3/c1-33-22-9-4-6-19-18-23(34-25(19)22)26(32)29-10-2-3-13-30-14-16-31(17-15-30)21-8-5-7-20-24(21)28-12-11-27-20/h4-9,11-12,18H,2-3,10,13-17H2,1H3,(H,29,32)
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| InChIKey |
DTQBVMPAFWTCFE-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