General Information of the Compound
| Compound ID |
CP0541571
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| Compound Name |
3-[(17,20-diethyl-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 |
C29H32N4O4
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| Molecular Weight |
500.599
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| Canonical SMILES |
CCc1cc2cc(CC)c1CCOC(=O)Nc1cccc(CNC(=O)C2Nc2cccc(c2)C(N)=O)c1
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| InChI |
InChI=1S/C29H32N4O4/c1-3-19-14-22-15-20(4-2)25(19)11-12-37-29(36)33-23-9-5-7-18(13-23)17-31-28(35)26(22)32-24-10-6-8-21(16-24)27(30)34/h5-10,13-16,26,32H,3-4,11-12,17H2,1-2H3,(H2,30,34)(H,31,35)(H,33,36)
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| InChIKey |
SVGMJSOPWWAAQA-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