General Information of the Compound
| Compound ID |
CP0065126
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| Compound Name |
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-(3-methylpyridin-2-yl)benzamide
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| Structure |
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| Formula |
C27H28Cl2N4O
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| Molecular Weight |
495.454
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| Canonical SMILES |
Cc1cccnc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C27H28Cl2N4O/c1-20-6-5-14-30-26(20)21-9-11-22(12-10-21)27(34)31-13-2-3-15-32-16-18-33(19-17-32)24-8-4-7-23(28)25(24)29/h2-12,14H,13,15-19H2,1H3,(H,31,34)/b3-2+
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| InChIKey |
MTJYJBYKMIGLMS-NSCUHMNNSA-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