General Information of the Compound
| Compound ID |
CP0430153
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| Compound Name |
(7R,9aS)-7-(4-tert-Butyl-phenoxymethyl)-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C23H32N4O
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| Molecular Weight |
380.536
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| Canonical SMILES |
CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
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| InChI |
InChI=1S/C23H32N4O/c1-23(2,3)19-6-9-21(10-7-19)28-17-18-5-8-20-16-27(14-13-26(20)15-18)22-24-11-4-12-25-22/h4,6-7,9-12,18,20H,5,8,13-17H2,1-3H3/t18-,20+/m1/s1
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| InChIKey |
GSVGUZSCTGJZJV-QUCCMNQESA-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