General Information of the Compound
| Compound ID |
CP0437064
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| Compound Name |
[3-(3-carbamoylphenyl)phenyl] N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C27H28Cl2N4O3
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| Molecular Weight |
527.452
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
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| InChI |
InChI=1S/C27H28Cl2N4O3/c28-23-9-3-10-24(25(23)29)33-15-13-32(14-16-33)12-4-11-31-27(35)36-22-8-2-6-20(18-22)19-5-1-7-21(17-19)26(30)34/h1-3,5-10,17-18H,4,11-16H2,(H2,30,34)(H,31,35)
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| InChIKey |
CDXLFYUUESQKHV-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