General Information of the Compound
| Compound ID |
CP0869495
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| Compound Name |
(E)-N-(4-(4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl)but-2-en-1-yl)-6-methoxy-1H-indole-3-carboxamide oxalic acid
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| Structure |
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| Formula |
C28H33FN4O7
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| Molecular Weight |
556.591
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| Canonical SMILES |
COc1ccc2c(C(=O)NC/C=C/CN3CCN(c4ccccc4OCCF)CC3)c[nH]c2c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C26H31FN4O3.C2H2O4/c1-33-20-8-9-21-22(19-29-23(21)18-20)26(32)28-11-4-5-12-30-13-15-31(16-14-30)24-6-2-3-7-25(24)34-17-10-27;3-1(4)2(5)6/h2-9,18-19,29H,10-17H2,1H3,(H,28,32);(H,3,4)(H,5,6)/b5-4+;
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| InChIKey |
XHTDYFVEBWLCAE-FXRZFVDSSA-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