General Information of the Compound
| Compound ID |
CP0576466
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| Compound Name |
N-[5-[4-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C54H65F3N8O14
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| Molecular Weight |
1107.15
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
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| InChI |
InChI=1S/C54H65F3N8O14/c1-63-15-17-64(18-16-63)44-10-9-38(33-43(44)61-50(69)40-35-60-47(67)34-41(40)54(55,56)57)36-5-7-37(8-6-36)49(68)59-14-20-74-22-24-76-26-28-78-30-32-79-31-29-77-27-25-75-23-21-73-19-13-58-42-4-2-3-39-48(42)53(72)65(52(39)71)45-11-12-46(66)62-51(45)70/h2-10,33-35,45,58H,11-32H2,1H3,(H,59,68)(H,60,67)(H,61,69)(H,62,66,70)
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| InChIKey |
OPZUCPBYLOKUIE-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