General Information of the Compound
| Compound ID |
CP0264023
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| Compound Name |
(S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]dioxin-6-ol; oxalic acid
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| Structure |
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| Formula |
C16H17NO3
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| Molecular Weight |
271.316
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| Canonical SMILES |
Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
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| InChI |
InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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| InChIKey |
DYWYWIOQKKRAST-AWEZNQCLSA-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: PT01161, D(4) dopamine receptor