General Information of the Compound
| Compound ID |
CP0433590
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| Compound Name |
1-(2,3-dichlorophenyl)-4-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]piperazine
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| Structure |
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| Formula |
C29H29Cl2N5
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| Molecular Weight |
518.492
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
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| InChI |
InChI=1S/C29H29Cl2N5/c30-27-9-5-10-28(29(27)31)35-16-14-34(15-17-35)13-4-3-7-23-20-36(33-32-23)24-11-12-26-22(19-24)18-21-6-1-2-8-25(21)26/h1-2,5-6,8-12,19-20H,3-4,7,13-18H2
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| InChIKey |
TZFNGJBTMKSJFD-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