General Information of the Compound
| Compound ID |
CP0401203
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| Compound Name |
5-Chloro-N-((S)-1-cycloheptyl-pyrrolidin-3-yl)-4-(cyclopropanecarbonyl-amino)-2-methoxy-benzamide
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| Structure |
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| Formula |
C23H32ClN3O3
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| Molecular Weight |
433.98
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| Canonical SMILES |
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1CCCCCC1
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| InChI |
InChI=1S/C23H32ClN3O3/c1-30-21-13-20(26-22(28)15-8-9-15)19(24)12-18(21)23(29)25-16-10-11-27(14-16)17-6-4-2-3-5-7-17/h12-13,15-17H,2-11,14H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1
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| InChIKey |
QEFSPTXBNNUABL-INIZCTEOSA-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