General Information of the Compound
| Compound ID |
CP0180164
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| Compound Name |
N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C27H28N4O2S
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| Molecular Weight |
472.614
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| Canonical SMILES |
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1
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| InChI |
InChI=1S/C27H28N4O2S/c32-27(24-5-3-17-33-24)28-23-10-9-20-8-7-19(18-22(20)23)11-12-30-13-15-31(16-14-30)26-21-4-1-2-6-25(21)34-29-26/h1-8,17-18,23H,9-16H2,(H,28,32)
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| InChIKey |
XBIPCIFARHCNNE-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2