General Information of the Compound
| Compound ID |
CP0550581
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| Compound Name |
N-[5-[4-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]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 |
C50H57F3N8O12
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| Molecular Weight |
1019.044
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
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| InChI |
InChI=1S/C50H57F3N8O12/c1-59-15-17-60(18-16-59)40-10-9-34(29-39(40)57-46(65)36-31-56-43(63)30-37(36)50(51,52)53)32-5-7-33(8-6-32)45(64)55-14-20-70-22-24-72-26-28-73-27-25-71-23-21-69-19-13-54-38-4-2-3-35-44(38)49(68)61(48(35)67)41-11-12-42(62)58-47(41)66/h2-10,29-31,41,54H,11-28H2,1H3,(H,55,64)(H,56,63)(H,57,65)(H,58,62,66)
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| InChIKey |
DHDXVQJEEHRETI-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