General Information of the Compound
| Compound ID |
CP0406281
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| Compound Name |
N-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C32H42N4O
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| Molecular Weight |
498.715
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(ncc2C1)C(C)(C)C
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| InChI |
InChI=1S/C32H42N4O/c1-5-20-36(28-17-18-29-27(22-28)23-34-31(35-29)32(2,3)4)21-10-9-19-33-30(37)26-15-13-25(14-16-26)24-11-7-6-8-12-24/h6-8,11-16,23,28H,5,9-10,17-22H2,1-4H3,(H,33,37)
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| InChIKey |
KWNJMHODRWLBPT-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