General Information of the Compound
| Compound ID |
CP0420413
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| Compound Name |
[3-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C28H32N4O4
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| Molecular Weight |
488.588
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
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| InChI |
InChI=1S/C28H32N4O4/c1-35-26-12-3-2-11-25(26)32-17-15-31(16-18-32)14-6-13-30-28(34)36-24-10-5-8-22(20-24)21-7-4-9-23(19-21)27(29)33/h2-5,7-12,19-20H,6,13-18H2,1H3,(H2,29,33)(H,30,34)
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| InChIKey |
HQDIIIDLDYDDHJ-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