General Information of the Compound
| Compound ID |
CP0455077
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| Compound Name |
5-iodo-2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C17H23IN2O3
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| Molecular Weight |
430.286
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| Canonical SMILES |
COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
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| InChI |
InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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| InChIKey |
YSQJEBUGELTUQM-ZDUSSCGKSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor