General Information of the Compound
| Compound ID |
CP0402468
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| Compound Name |
5-Chloro-N-((S)-1-cyclohexyl-pyrrolidin-3-yl)-4-(cyclopropanecarbonyl-amino)-2-methoxy-benzamide
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| Structure |
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| Formula |
C22H30ClN3O3
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| Molecular Weight |
419.953
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| Canonical SMILES |
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCC1
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| InChI |
InChI=1S/C22H30ClN3O3/c1-29-20-12-19(25-21(27)14-7-8-14)18(23)11-17(20)22(28)24-15-9-10-26(13-15)16-5-3-2-4-6-16/h11-12,14-16H,2-10,13H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1
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| InChIKey |
MEEMKNVOHUJFSV-HNNXBMFYSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor