General Information of the Compound
| Compound ID |
CP0405916
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| Compound Name |
N-[1-(4,5-dibromo-1H-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 |
C27H28Br2N8O2
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| Molecular Weight |
656.383
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nc(Br)c(Br)[nH]2)cc2cn[nH]c12
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| InChI |
InChI=1S/C27H28Br2N8O2/c1-15-10-16(11-18-13-30-35-22(15)18)12-21(25-33-23(28)24(29)34-25)32-26(38)36-8-6-19(7-9-36)37-14-17-4-2-3-5-20(17)31-27(37)39/h2-5,10-11,13,19,21H,6-9,12,14H2,1H3,(H,30,35)(H,31,39)(H,32,38)(H,33,34)
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| InChIKey |
YDKIVDJAESNFLM-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