General Information of the Compound
| Compound ID |
CP0930724
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| Compound Name |
Bis-{5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-octahydro-pentalen-2-yl}-amine oxalic acid
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| Structure |
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| Formula |
C40H57N5O6
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| Molecular Weight |
703.925
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| Canonical SMILES |
COc1ccccc1N1CCN(C2CC3CC(NC4CC5CC(N6CCN(c7ccccc7OC)CC6)CC5C4)CC3C2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C38H55N5O2.C2H2O4/c1-44-37-9-5-3-7-35(37)42-15-11-40(12-16-42)33-23-27-19-31(20-28(27)24-33)39-32-21-29-25-34(26-30(29)22-32)41-13-17-43(18-14-41)36-8-4-6-10-38(36)45-2;3-1(4)2(5)6/h3-10,27-34,39H,11-26H2,1-2H3;(H,3,4)(H,5,6)
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| InChIKey |
CGIDVWVHYNNASF-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