General Information of the Compound
| Compound ID |
CP0412404
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| Compound Name |
1'-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C23H26Cl2N4O
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| Molecular Weight |
445.394
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| Canonical SMILES |
Clc1ccc(cc1Cl)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
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| InChI |
InChI=1S/C23H26Cl2N4O/c24-19-6-5-17(15-20(19)25)29-13-11-27(12-14-29)9-10-28-8-7-23(16-28)18-3-1-2-4-21(18)26-22(23)30/h1-6,15H,7-14,16H2,(H,26,30)
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| InChIKey |
MOFMPCSTQOOMEP-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7