General Information of the Compound
| Compound ID |
CP0482428
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| Compound Name |
N-[1-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C34H34F2N8O2
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| Molecular Weight |
624.696
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2cc(F)cc(F)c2)cc2cn[nH]c12
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| InChI |
InChI=1S/C34H34F2N8O2/c1-21-12-22(13-25-18-38-41-31(21)25)16-30(32-37-8-11-43(32)19-23-14-26(35)17-27(36)15-23)40-33(45)42-9-6-28(7-10-42)44-20-24-4-2-3-5-29(24)39-34(44)46/h2-5,8,11-15,17-18,28,30H,6-7,9-10,16,19-20H2,1H3,(H,38,41)(H,39,46)(H,40,45)
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| InChIKey |
IKZZTJAJWRXLNM-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