General Information of the Compound
| Compound ID |
CP0505600
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| Compound Name |
N-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C29H36N4O
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| Molecular Weight |
456.634
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(C)ncc2C1
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| InChI |
InChI=1S/C29H36N4O/c1-3-18-33(27-15-16-28-26(20-27)21-31-22(2)32-28)19-8-7-17-30-29(34)25-13-11-24(12-14-25)23-9-5-4-6-10-23/h4-6,9-14,21,27H,3,7-8,15-20H2,1-2H3,(H,30,34)
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| InChIKey |
HKBFAJQLEHSBTM-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