General Information of the Compound
| Compound ID |
CP0576876
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| Compound Name |
2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H26Cl2N6
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| Molecular Weight |
445.398
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| Canonical SMILES |
Clc1cccc(N2CCN(CCN3CCN(CC3)c3ncccc3C#N)CC2)c1Cl
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| InChI |
InChI=1S/C22H26Cl2N6/c23-19-4-1-5-20(21(19)24)29-13-9-27(10-14-29)7-8-28-11-15-30(16-12-28)22-18(17-25)3-2-6-26-22/h1-6H,7-16H2
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| InChIKey |
QYSQVRCEVBDIDO-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor