General Information of the Compound
| Compound ID |
CP0389180
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| Compound Name |
1-(2,3-dichlorophenyl)-4-[4-(1-naphthalen-2-yltriazol-4-yl)butyl]piperazine
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| Structure |
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| Formula |
C26H27Cl2N5
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| Molecular Weight |
480.443
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4ccccc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C26H27Cl2N5/c27-24-9-5-10-25(26(24)28)32-16-14-31(15-17-32)13-4-3-8-22-19-33(30-29-22)23-12-11-20-6-1-2-7-21(20)18-23/h1-2,5-7,9-12,18-19H,3-4,8,13-17H2
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| InChIKey |
JEZRLUMTXPFWPB-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
Protein ID: PT01161, D(4) dopamine receptor