General Information of the Compound
| Compound ID |
CP0382713
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| Compound Name |
7-[4-[(5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholin-4-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C23H30N4O3
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| Molecular Weight |
410.518
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| Canonical SMILES |
C[C@H]1COC(CN1CCCCOc1ccc2CCC(=O)Nc2c1)c1ccc(N)nc1
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| InChI |
InChI=1S/C23H30N4O3/c1-16-15-30-21(18-5-8-22(24)25-13-18)14-27(16)10-2-3-11-29-19-7-4-17-6-9-23(28)26-20(17)12-19/h4-5,7-8,12-13,16,21H,2-3,6,9-11,14-15H2,1H3,(H2,24,25)(H,26,28)/t16-,21?/m0/s1
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| InChIKey |
QFHMBWDXZWRJJD-BJQOMGFOSA-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
Protein ID: PT01161, D(4) dopamine receptor