General Information of the Compound
| Compound ID |
CP0468620
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| Compound Name |
1-[4-methoxy-N-[(3-methoxyphenyl)methyl]anilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C30H39N5O4
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| Molecular Weight |
533.673
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1cccc(OC)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C30H39N5O4/c1-37-26-14-12-25(13-15-26)35(23-24-8-6-9-27(22-24)38-2)32-30(36)31-16-7-17-33-18-20-34(21-19-33)28-10-4-5-11-29(28)39-3/h4-6,8-15,22H,7,16-21,23H2,1-3H3,(H2,31,32,36)
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| InChIKey |
DAMZXOKWXKGWAF-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