General Information of the Compound
| Compound ID |
CP0489974
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| Compound Name |
4-Benzoylamino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide
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| Structure |
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| Formula |
C26H26ClN3O3
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| Molecular Weight |
463.965
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| Canonical SMILES |
COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C26H26ClN3O3/c1-33-24-15-23(29-25(31)19-10-6-3-7-11-19)22(27)14-21(24)26(32)28-20-12-13-30(17-20)16-18-8-4-2-5-9-18/h2-11,14-15,20H,12-13,16-17H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
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| InChIKey |
ZLDLWKBRAOVFDO-FQEVSTJZSA-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