General Information of the Compound
| Compound ID |
CP0309014
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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]propanamide
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| Structure |
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| Formula |
C25H30N4OS
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| Molecular Weight |
434.609
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| Canonical SMILES |
CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
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| InChI |
InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)
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| InChIKey |
GMJXFEMNNKZIHB-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