General Information of the Compound
| Compound ID |
CP0856728
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| Compound Name |
4-(2-(2-Fluoroethoxy)ethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)-trans-but-2-enyl)benzamide oxalic acid salt
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| Structure |
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| Formula |
C29H37F2N3O8
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| Molecular Weight |
593.624
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| Canonical SMILES |
O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C27H35F2N3O4.C2H2O4/c28-11-19-34-21-22-35-24-9-7-23(8-10-24)27(33)30-13-3-4-14-31-15-17-32(18-16-31)25-5-1-2-6-26(25)36-20-12-29;3-1(4)2(5)6/h1-10H,11-22H2,(H,30,33);(H,3,4)(H,5,6)/b4-3+;
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| InChIKey |
DSJKEVGJQFBUEF-BJILWQEISA-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