General Information of the Compound
| Compound ID |
CP0424341
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| Compound Name |
N-[(E)-4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]but-2-enyl]-5-methyl-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C21H28ClN5O
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| Molecular Weight |
401.942
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| Canonical SMILES |
CCc1cccc(N2CCN(C\C=C\CNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
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| InChI |
InChI=1S/C21H28ClN5O/c1-3-17-7-6-8-18(19(17)22)27-13-11-26(12-14-27)10-5-4-9-23-21(28)20-24-15-16(2)25-20/h4-8,15H,3,9-14H2,1-2H3,(H,23,28)(H,24,25)/b5-4+
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| InChIKey |
PECVDLVWKCIEGG-SNAWJCMRSA-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