General Information of the Compound
| Compound ID |
CP0455632
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| Compound Name |
(7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C19H23FN4O
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| Molecular Weight |
342.418
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| Canonical SMILES |
Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
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| InChI |
InChI=1S/C19H23FN4O/c20-16-3-6-18(7-4-16)25-14-15-2-5-17-13-24(11-10-23(17)12-15)19-21-8-1-9-22-19/h1,3-4,6-9,15,17H,2,5,10-14H2/t15-,17+/m1/s1
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| InChIKey |
UHFPHCOQBXQSQQ-WBVHZDCISA-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