General Information of the Compound
| Compound ID |
CP0382004
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| Compound Name |
[8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
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| Structure |
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| Formula |
C30H38N4OS
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| Molecular Weight |
502.728
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| Canonical SMILES |
CC1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12
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| InChI |
InChI=1S/C30H38N4OS/c1-22-14-17-34(30(35)24-8-3-2-4-9-24)28-23(10-7-12-25(22)28)15-16-32-18-20-33(21-19-32)29-26-11-5-6-13-27(26)36-31-29/h5-7,10-13,22,24H,2-4,8-9,14-21H2,1H3
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| InChIKey |
NUULIEKFIPBBLV-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