General Information of the Compound
| Compound ID |
CP0376256
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| Compound Name |
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C25H29ClN4O3
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| Molecular Weight |
468.985
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| Canonical SMILES |
COc1c(Cl)cccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
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| InChI |
InChI=1S/C25H29ClN4O3/c1-33-24-21(26)6-4-8-23(24)30-13-11-29(12-14-30)17-20(31)9-10-27-25(32)19-15-18-5-2-3-7-22(18)28-16-19/h2-8,15-16,20,31H,9-14,17H2,1H3,(H,27,32)
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| InChIKey |
BYXLAWSTXWDXIK-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