General Information of the Compound
| Compound ID |
CP0379506
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| Compound Name |
2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one O-ethyloxime
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
CCO\N=C1/C(CN2CCN(CC2)c2ccccn2)CCc2ccccc12
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| InChI |
InChI=1S/C22H28N4O/c1-2-27-24-22-19(11-10-18-7-3-4-8-20(18)22)17-25-13-15-26(16-14-25)21-9-5-6-12-23-21/h3-9,12,19H,2,10-11,13-17H2,1H3/b24-22+
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| InChIKey |
GBROUWJFMCAREM-ZNTNEXAZSA-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: PT01161, D(4) dopamine receptor