General Information of the Compound
| Compound ID |
CP0375217
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| Compound Name |
N-[4-[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)ncc2C1
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| InChI |
InChI=1S/C28H35N5O/c1-2-17-33(25-14-15-26-24(19-25)20-31-28(29)32-26)18-7-6-16-30-27(34)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,25H,2,6-7,14-19H2,1H3,(H,30,34)(H2,29,31,32)
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| InChIKey |
KGMVEMHKBMNSJG-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