General Information of the Compound
| Compound ID |
CP0463995
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| Compound Name |
(4-phenylphenyl) N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C26H27Cl2N3O2
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| Molecular Weight |
484.427
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc(cc3)-c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C26H27Cl2N3O2/c27-23-8-4-9-24(25(23)28)31-18-16-30(17-19-31)15-5-14-29-26(32)33-22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-4,6-13H,5,14-19H2,(H,29,32)
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| InChIKey |
ANCQWHLMXBDLTA-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