General Information of the Compound
| Compound ID |
CP0434495
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| Compound Name |
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C24H30ClN5O2
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| Molecular Weight |
455.99
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| Canonical SMILES |
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
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| InChI |
InChI=1S/C24H30ClN5O2/c1-2-18-6-5-7-21(23(18)25)29-14-12-28(13-15-29)16-19(31)9-10-26-24(32)20-17-30-11-4-3-8-22(30)27-20/h3-8,11,17,19,31H,2,9-10,12-16H2,1H3,(H,26,32)
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| InChIKey |
LNMWMYAAMASJED-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
Protein ID: PT01161, D(4) dopamine receptor