General Information of the Compound
| Compound ID |
CP0046178
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-[1-(4-nitrophenyl)triazol-4-yl]butanamide
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| Structure |
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| Formula |
C26H31Cl2N7O3
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| Molecular Weight |
560.486
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-n1cc(CCCC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)nn1
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| InChI |
InChI=1S/C26H31Cl2N7O3/c27-23-6-4-7-24(26(23)28)33-17-15-32(16-18-33)14-2-1-13-29-25(36)8-3-5-20-19-34(31-30-20)21-9-11-22(12-10-21)35(37)38/h4,6-7,9-12,19H,1-3,5,8,13-18H2,(H,29,36)
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| InChIKey |
LFQLOBUDZGJGBE-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