General Information of the Compound
| Compound ID |
CP0402936
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| Compound Name |
[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
O=C(N1CCC(CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
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| InChI |
InChI=1S/C23H28N4O2S/c28-23(20-5-3-17-29-20)27-11-8-18(9-12-27)7-10-25-13-15-26(16-14-25)22-19-4-1-2-6-21(19)30-24-22/h1-6,17-18H,7-16H2
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| InChIKey |
DGSJCQBCZUXHPR-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor