General Information of the Compound
| Compound ID |
CP0480937
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| Compound Name |
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzamide
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| Structure |
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| Formula |
C23H28ClN3O3
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| Molecular Weight |
429.948
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| Canonical SMILES |
COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1
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| InChIKey |
KOGDZZNXDVXRTP-KRWDZBQOSA-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