General Information of the Compound
| Compound ID |
CP0546704
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| Compound Name |
[4-(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)-c1ccc(OC(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
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| InChI |
InChI=1S/C27H28Cl2N4O3/c28-23-6-2-7-24(25(23)29)33-16-14-32(15-17-33)13-3-12-31-27(35)36-22-10-8-19(9-11-22)20-4-1-5-21(18-20)26(30)34/h1-2,4-11,18H,3,12-17H2,(H2,30,34)(H,31,35)
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| InChIKey |
QIVWZHLPLMDRRN-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