General Information of the Compound
| Compound ID |
CP0512131
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| Compound Name |
(7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C19H24N4O
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| Molecular Weight |
324.428
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| Canonical SMILES |
C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
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| InChI |
InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17+/m1/s1
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| InChIKey |
IAMSHZCIGNPBQZ-SJORKVTESA-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