General Information of the Compound
| Compound ID |
CP0548208
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| Compound Name |
7-[3-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C28H37N3O3
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| Molecular Weight |
463.622
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCCOc3ccc4CCC(=O)Nc4c3)CC2)CC1
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| InChI |
InChI=1S/C28H37N3O3/c1-33-26-6-3-2-5-25(26)31-18-13-28(14-19-31)11-16-30(17-12-28)15-4-20-34-23-9-7-22-8-10-27(32)29-24(22)21-23/h2-3,5-7,9,21H,4,8,10-20H2,1H3,(H,29,32)
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| InChIKey |
VGGYTNPNHQBLKG-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor