General Information of the Compound
| Compound ID |
CP0496697
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| Compound Name |
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-4-(cyclobutanecarbonylamino)-2-methoxybenzamide
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| Structure |
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| Formula |
C24H28ClN3O3
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| Molecular Weight |
441.959
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| Canonical SMILES |
COc1cc(NC(=O)C2CCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C24H28ClN3O3/c1-31-22-13-21(27-23(29)17-8-5-9-17)20(25)12-19(22)24(30)26-18-10-11-28(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,12-13,17-18H,5,8-11,14-15H2,1H3,(H,26,30)(H,27,29)/t18-/m0/s1
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| InChIKey |
NAIPHDYWZLQDLJ-SFHVURJKSA-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