General Information of the Compound
| Compound ID |
CP0869500
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| Compound Name |
(E)-N-(4-(4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl)but-2-en-1-yl)-1H-indole-2-carboxamide oxalic acid
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| Structure |
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| Formula |
C27H31FN4O6
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| Molecular Weight |
526.565
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| Canonical SMILES |
O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2[nH]1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H29FN4O2.C2H2O4/c26-11-18-32-24-10-4-3-9-23(24)30-16-14-29(15-17-30)13-6-5-12-27-25(31)22-19-20-7-1-2-8-21(20)28-22;3-1(4)2(5)6/h1-10,19,28H,11-18H2,(H,27,31);(H,3,4)(H,5,6)/b6-5+;
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| InChIKey |
GGKIOWJSZJQLII-IPZCTEOASA-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