General Information of the Compound
| Compound ID |
CP0421088
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| Compound Name |
[4-[2-(5-chloropyridin-3-yl)oxyethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C20H21ClN4O2
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| Molecular Weight |
384.867
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| Canonical SMILES |
Clc1cncc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C20H21ClN4O2/c21-16-12-17(14-22-13-16)27-10-9-24-5-7-25(8-6-24)20(26)19-11-15-3-1-2-4-18(15)23-19/h1-4,11-14,23H,5-10H2
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| InChIKey |
MQJQYLQPSMPNAA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor