General Information of the Compound
| Compound ID |
CP0384692
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| Compound Name |
1-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]benzo[cd]indol-2-one;hydrochloride
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| Structure |
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| Formula |
C28H31ClF3N3O
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| Molecular Weight |
518.023
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| Canonical SMILES |
Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
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| InChI |
InChI=1S/C28H30F3N3O.ClH/c29-28(30,31)22-10-7-11-23(20-22)33-18-16-32(17-19-33)14-3-1-2-4-15-34-25-13-6-9-21-8-5-12-24(26(21)25)27(34)35;/h5-13,20H,1-4,14-19H2;1H
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| InChIKey |
XZXOYWCOHDIXNL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor