General Information of the Compound
| Compound ID |
CP0371972
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| Compound Name |
N-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
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| Structure |
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| Formula |
C35H42N2O2
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| Molecular Weight |
522.733
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| Canonical SMILES |
CN(CCC=C1c2ccccc2CCc2ccccc12)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C35H42N2O2/c1-36(22-9-15-34-32-13-5-3-11-29(32)18-19-30-12-4-6-14-33(30)34)35(38)27-28-16-20-31(21-17-28)39-26-10-25-37-23-7-2-8-24-37/h3-6,11-17,20-21H,2,7-10,18-19,22-27H2,1H3
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| InChIKey |
FBGLPECKCFZJFU-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor