General Information of the Compound
| Compound ID |
CP0412517
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| Compound Name |
(7R,9aS)-7-Phenoxymethyl-2-pyridin-2-yl-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C20H25N3O
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| Molecular Weight |
323.44
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| Canonical SMILES |
C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccn1
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| InChI |
InChI=1S/C20H25N3O/c1-2-6-19(7-3-1)24-16-17-9-10-18-15-23(13-12-22(18)14-17)20-8-4-5-11-21-20/h1-8,11,17-18H,9-10,12-16H2/t17-,18+/m1/s1
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| InChIKey |
CFDPQJPZOGBUMP-MSOLQXFVSA-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