General Information of the Compound
| Compound ID |
CP0404491
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| Compound Name |
[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-phenylmethanone
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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 |
COc1cc2nc(nc(N3CCN(CC3)C(=O)c3ccccc3)c2cc1OC)C1CC1
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| InChI |
InChI=1S/C24H26N4O3/c1-30-20-14-18-19(15-21(20)31-2)25-22(16-8-9-16)26-23(18)27-10-12-28(13-11-27)24(29)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
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| InChIKey |
LAVIRFINTRGEDZ-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