General Information of the Compound
| Compound ID |
CP0394273
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-ethynylbenzamide
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| Structure |
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| Formula |
C23H25Cl2N3O
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| Molecular Weight |
430.379
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)C#C)CC2)c1Cl
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| InChI |
InChI=1S/C23H25Cl2N3O/c1-2-18-8-10-19(11-9-18)23(29)26-12-3-4-13-27-14-16-28(17-15-27)21-7-5-6-20(24)22(21)25/h1,5-11H,3-4,12-17H2,(H,26,29)
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| InChIKey |
WOZSFGJKUOKIMV-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