General Information of the Compound
| Compound ID |
CP0169219
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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]butanamide
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| Structure |
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| Formula |
C26H32N4OS
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| Molecular Weight |
448.636
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| Canonical SMILES |
CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
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| InChI |
InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-10-20-9-8-19(18-22(20)23)12-13-29-14-16-30(17-15-29)26-21-6-3-4-7-24(21)32-28-26/h3-4,6-9,18,23H,2,5,10-17H2,1H3,(H,27,31)
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| InChIKey |
NDJMUWDIDQMYFY-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