General Information of the Compound
| Compound ID |
CP0040962
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| Compound Name |
3-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethyl]-benzamide
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| Structure |
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| Formula |
C19H19ClN4O
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| Molecular Weight |
354.841
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| Canonical SMILES |
Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
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| InChI |
InChI=1S/C19H19ClN4O/c20-17-6-3-5-15(12-17)19(25)22-14-23-8-10-24(11-9-23)18-7-2-1-4-16(18)13-21/h1-7,12H,8-11,14H2,(H,22,25)
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| InChIKey |
LMFZASCXAANSLM-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
Cell-based Assay