General Information of the Compound
| Compound ID |
CP0412049
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| Compound Name |
N-[4-[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-methylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
CN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)ncc2C1
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| InChI |
InChI=1S/C26H31N5O/c1-31(23-13-14-24-22(17-23)18-29-26(27)30-24)16-6-5-15-28-25(32)21-11-9-20(10-12-21)19-7-3-2-4-8-19/h2-4,7-12,18,23H,5-6,13-17H2,1H3,(H,28,32)(H2,27,29,30)
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| InChIKey |
MXDNCXSBIMPXLA-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