General Information of the Compound
| Compound ID |
CP0448505
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| Compound Name |
N-[4-[(4-methoxy-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2ncnc(OC)c2C1
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| InChI |
InChI=1S/C29H36N4O2/c1-3-18-33(25-15-16-27-26(20-25)29(35-2)32-21-31-27)19-8-7-17-30-28(34)24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-14,21,25H,3,7-8,15-20H2,1-2H3,(H,30,34)
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| InChIKey |
DAQRADKKYACIIM-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