General Information of the Compound
| Compound ID |
CP0869496
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| Compound Name |
(E)-5-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but-2-en-1-yl)-1H-indole-2-carboxamide oxalic acid
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| Structure |
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| Formula |
C32H41FN4O9
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| Molecular Weight |
644.697
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| Canonical SMILES |
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C30H39FN4O5.C2H2O4/c1-37-29-7-3-2-6-28(29)35-15-13-34(14-16-35)12-5-4-11-32-30(36)27-23-24-22-25(8-9-26(24)33-27)40-21-20-39-19-18-38-17-10-31;3-1(4)2(5)6/h2-9,22-23,33H,10-21H2,1H3,(H,32,36);(H,3,4)(H,5,6)/b5-4+;
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| InChIKey |
TWIFRVIDBSNZKR-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