General Information of the Compound
| Compound ID |
CP0278460
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| Compound Name |
N-[4-(2-chlorophenyl)-5-(9-oxa-3-thia-14-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-1H-imidazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H17ClN4O2S
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| Molecular Weight |
436.924
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| Canonical SMILES |
CC(=O)Nc1nc(c([nH]1)-c1cc2CCOc3cccnc3-c2s1)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H17ClN4O2S/c1-12(28)25-22-26-18(14-5-2-3-6-15(14)23)20(27-22)17-11-13-8-10-29-16-7-4-9-24-19(16)21(13)30-17/h2-7,9,11H,8,10H2,1H3,(H2,25,26,27,28)
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| InChIKey |
RQIONNMMALFGKD-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