General Information of the Compound
| Compound ID |
CP0902372
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| Compound Name |
4-(4-Iodophenyl)-1-((5-methoxy-1H-indol-3-yl)methyl)-piperidin-4-ol oxalate
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| Structure |
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| Formula |
C23H25IN2O6
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| Molecular Weight |
552.365
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| Canonical SMILES |
COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c2c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H23IN2O2.C2H2O4/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16;3-1(4)2(5)6/h2-7,12-13,23,25H,8-11,14H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
GLMVMQXWYMJJQA-UHFFFAOYSA-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