General Information of the Compound
| Compound ID |
CP0169220
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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]acetamide
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| Structure |
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| Formula |
C24H28N4OS
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| Molecular Weight |
420.582
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| Canonical SMILES |
CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
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| InChI |
InChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22)10-11-27-12-14-28(15-13-27)24-20-4-2-3-5-23(20)30-26-24/h2-7,16,22H,8-15H2,1H3,(H,25,29)
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| InChIKey |
ACZCVZUKGWGYJX-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