General Information of the Compound
| Compound ID |
CP0864137
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| Compound Name |
1-(4-(4-([1,10-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)-butyl)-4-(2,3-dichlorophenyl)piperazine
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| Structure |
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| Formula |
C28H29Cl2N5
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| Molecular Weight |
506.481
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCn3cc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)c1Cl
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| InChI |
InChI=1S/C28H29Cl2N5/c29-25-9-6-10-27(28(25)30)34-19-17-33(18-20-34)15-4-5-16-35-21-26(31-32-35)24-13-11-23(12-14-24)22-7-2-1-3-8-22/h1-3,6-14,21H,4-5,15-20H2
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| InChIKey |
LIJZDQUYGUZHCR-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