General Information of the Compound
| Compound ID |
CP0430205
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| Compound Name |
9H-Fluorene-2-carboxylic acid {(Z)-4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-amide
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| Structure |
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| Formula |
C28H27Cl2N3O
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| Molecular Weight |
492.45
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| Canonical SMILES |
Clc1cccc(N2CCN(C\C=C/CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
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| InChI |
InChI=1S/C28H27Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-11,19H,12-18H2,(H,31,34)/b4-3-
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| InChIKey |
ZCTVOGWWMHRQLN-ARJAWSKDSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor