General Information of the Compound
| Compound ID |
CP0860172
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| Compound Name |
N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)-1H-indole-3-carboxamide oxalic acid
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| Structure |
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| Formula |
C27H33FN4O6
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| Molecular Weight |
528.581
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| Canonical SMILES |
O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccccc12.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H31FN4O2.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)21-19-28-22-8-2-1-7-20(21)22;3-1(4)2(5)6/h1-4,7-10,19,28H,5-6,11-18H2,(H,27,31);(H,3,4)(H,5,6)
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| InChIKey |
SQGZAVPMYDRVBL-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