General Information of the Compound
| Compound ID |
CP0384792
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| Compound Name |
7-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
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| Structure |
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| Formula |
C29H28N6O2
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| Molecular Weight |
492.583
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2C3=NNC(=O)CC3Cc2c1
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| InChI |
InChI=1S/C29H28N6O2/c1-35(2)13-14-37-23-6-3-19(4-7-23)29-31-27(18-9-11-30-12-10-18)28(32-29)20-5-8-24-21(15-20)16-22-17-25(36)33-34-26(22)24/h3-12,15,22H,13-14,16-17H2,1-2H3,(H,31,32)(H,33,36)
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| InChIKey |
QMNCJZJFNLUSIZ-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