General Information of the Compound
| Compound ID |
CP0546706
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| Compound Name |
[4-(3-carbamoylphenyl)-3-methoxyphenyl] N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C30H36N4O5
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| Molecular Weight |
532.641
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(c(OC)c2)-c2cccc(c2)C(N)=O)CC1
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| InChI |
InChI=1S/C30H36N4O5/c1-37-27-11-4-3-10-26(27)34-18-16-33(17-19-34)15-6-5-14-32-30(36)39-24-12-13-25(28(21-24)38-2)22-8-7-9-23(20-22)29(31)35/h3-4,7-13,20-21H,5-6,14-19H2,1-2H3,(H2,31,35)(H,32,36)
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| InChIKey |
LDYKPEZBHFCCGD-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