General Information of the Compound
| Compound ID |
CP0429287
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| Compound Name |
1-[2,4-dichloro-N-[(4-cyanophenyl)methyl]anilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C29H32Cl2N6O2
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| Molecular Weight |
567.521
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(cc2)C#N)c2ccc(Cl)cc2Cl)CC1
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| InChI |
InChI=1S/C29H32Cl2N6O2/c1-39-28-6-3-2-5-27(28)36-17-15-35(16-18-36)14-4-13-33-29(38)34-37(26-12-11-24(30)19-25(26)31)21-23-9-7-22(20-32)8-10-23/h2-3,5-12,19H,4,13-18,21H2,1H3,(H2,33,34,38)
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| InChIKey |
LWBLFKWXBXEZMX-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
Protein ID: PT01161, D(4) dopamine receptor