General Information of the Compound
| Compound ID |
CP0136153
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| Compound Name |
N-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide
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| Structure |
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| Formula |
C29H29FN4OS
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| Molecular Weight |
500.643
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
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| InChI |
InChI=1S/C29H29FN4OS/c30-23-9-6-21(7-10-23)29(35)31-26-12-8-22-19-20(5-11-24(22)26)13-14-33-15-17-34(18-16-33)28-25-3-1-2-4-27(25)36-32-28/h1-7,9-11,19,26H,8,12-18H2,(H,31,35)
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| InChIKey |
PHCUGENQVJPTLC-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