General Information of the Compound
| Compound ID |
CP0408776
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| Compound Name |
N-[4-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C30H39N5O
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| Molecular Weight |
485.676
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(ncc2C1)N(C)C
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| InChI |
InChI=1S/C30H39N5O/c1-4-19-35(27-16-17-28-26(21-27)22-32-30(33-28)34(2)3)20-9-8-18-31-29(36)25-14-12-24(13-15-25)23-10-6-5-7-11-23/h5-7,10-15,22,27H,4,8-9,16-21H2,1-3H3,(H,31,36)
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| InChIKey |
YUOYSSGZLHUBKV-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