General Information of the Compound
| Compound ID |
CP0548151
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| Compound Name |
3-[(17-ethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl)amino]benzamide
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
CCc1cc2ccc1CCOC(=O)Nc1cccc(CNC(=O)C2Nc2cccc(c2)C(N)=O)c1
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| InChI |
InChI=1S/C27H28N4O4/c1-2-18-14-20-10-9-19(18)11-12-35-27(34)31-22-7-3-5-17(13-22)16-29-26(33)24(20)30-23-8-4-6-21(15-23)25(28)32/h3-10,13-15,24,30H,2,11-12,16H2,1H3,(H2,28,32)(H,29,33)(H,31,34)
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| InChIKey |
ZUPUKEKKNTYECE-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