General Information of the Compound
| Compound ID |
CP0414765
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| Compound Name |
N-[1-[1-[(4-fluorophenyl)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 |
C34H35FN8O2
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| Molecular Weight |
606.706
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2ccc(F)cc2)cc2cn[nH]c12
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| InChI |
InChI=1S/C34H35FN8O2/c1-22-16-24(17-26-19-37-40-31(22)26)18-30(32-36-12-15-42(32)20-23-6-8-27(35)9-7-23)39-33(44)41-13-10-28(11-14-41)43-21-25-4-2-3-5-29(25)38-34(43)45/h2-9,12,15-17,19,28,30H,10-11,13-14,18,20-21H2,1H3,(H,37,40)(H,38,45)(H,39,44)
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| InChIKey |
ZZXHJYKDDQFFMU-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