General Information of the Compound
| Compound ID |
CP0437065
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| Compound Name |
[4-(3-carbamoylphenyl)-3-fluorophenyl] N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]carbamate
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| Structure |
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| Formula |
C28H27Cl2FN4O3
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| Molecular Weight |
557.453
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1F
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| InChI |
InChI=1S/C28H27Cl2FN4O3/c29-23-7-4-8-25(26(23)30)35-15-13-34(14-16-35)12-2-1-11-33-28(37)38-21-9-10-22(24(31)18-21)19-5-3-6-20(17-19)27(32)36/h1-10,17-18H,11-16H2,(H2,32,36)(H,33,37)/b2-1+
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| InChIKey |
KKJIMDAMMQSFSZ-OWOJBTEDSA-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