General Information of the Compound
| Compound ID |
CP0480200
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| Compound Name |
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]-5-methyl-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C21H30ClN5O2
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| Molecular Weight |
419.957
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| Canonical SMILES |
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
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| InChI |
InChI=1S/C21H30ClN5O2/c1-3-16-5-4-6-18(19(16)22)27-11-9-26(10-12-27)14-17(28)7-8-23-21(29)20-24-13-15(2)25-20/h4-6,13,17,28H,3,7-12,14H2,1-2H3,(H,23,29)(H,24,25)
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| InChIKey |
KGPBMAROMMRKCL-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