General Information of the Compound
| Compound ID |
CP0299409
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| Compound Name |
2-cyclobutyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CCC1
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| InChI |
InChI=1S/C25H30N4O3/c1-30-21-10-5-4-9-20(21)28-11-13-29(14-12-28)25-18-15-22(31-2)23(32-3)16-19(18)26-24(27-25)17-7-6-8-17/h4-5,9-10,15-17H,6-8,11-14H2,1-3H3
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| InChIKey |
TYVVZRKDKNAKQL-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: PT06109, Geminin
Protein ID: PT02429, Neurotensin receptor type 1
Protein ID: PT02626, Neurotensin receptor type 2
Protein ID: PT06124, Paired box protein Pax-8