General Information of the Compound
| Compound ID |
CP0418846
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| Compound Name |
4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide
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| Structure |
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| Formula |
C19H22ClN3O2
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| Molecular Weight |
359.857
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C19H22ClN3O2/c1-25-18-10-17(21)16(20)9-15(18)19(24)22-14-7-8-23(12-14)11-13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12,21H2,1H3,(H,22,24)/t14-/m1/s1
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| InChIKey |
SJBNXYKTYPFRET-CQSZACIVSA-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