General Information of the Compound
| Compound ID |
CP0404490
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| Compound Name |
6-cyclobutyl-8-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,3]dioxolo[4,5-g]quinazoline
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1nc(nc2cc3OCOc3cc12)C1CCC1
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| InChI |
InChI=1S/C24H26N4O3/c1-29-20-8-3-2-7-19(20)27-9-11-28(12-10-27)24-17-13-21-22(31-15-30-21)14-18(17)25-23(26-24)16-5-4-6-16/h2-3,7-8,13-14,16H,4-6,9-12,15H2,1H3
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| InChIKey |
PWJIZHGNECXEFM-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: PT03308, G-protein coupled receptor 35
Protein ID: PT02429, Neurotensin receptor type 1
Protein ID: PT02626, Neurotensin receptor type 2