General Information of the Compound
| Compound ID |
CP0382963
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| Compound Name |
MLS001173843
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| Structure |
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| Formula |
C21H26N2O4
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| Molecular Weight |
370.449
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| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C21H26N2O4/c1-25-18-5-3-17(4-6-18)21(24)23-13-11-22(12-14-23)15-16-27-20-9-7-19(26-2)8-10-20/h3-10H,11-16H2,1-2H3
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| InChIKey |
NUWFSHWNAZZTED-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic