General Information of the Compound
| Compound ID |
CP0491726
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| Compound Name |
N-[1-[4-bromo-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 |
C34H33BrF2N8O2
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| Molecular Weight |
703.592
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nc(Br)cn2Cc2cc(F)cc(F)c2)cc2cn[nH]c12
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| InChI |
InChI=1S/C34H33BrF2N8O2/c1-20-10-21(11-24-16-38-42-31(20)24)14-29(32-41-30(35)19-44(32)17-22-12-25(36)15-26(37)13-22)40-33(46)43-8-6-27(7-9-43)45-18-23-4-2-3-5-28(23)39-34(45)47/h2-5,10-13,15-16,19,27,29H,6-9,14,17-18H2,1H3,(H,38,42)(H,39,47)(H,40,46)
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| InChIKey |
SLDUVQQUDMUMFQ-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