General Information of the Compound
| Compound ID |
CP0402606
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| Compound Name |
US9216968, 248
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| Structure |
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| Formula |
C26H22Cl2F2N4O4
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| Molecular Weight |
563.388
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(OCC(F)F)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C26H22Cl2F2N4O4/c1-13-18(27)4-3-5-20(13)33-26(36)17-8-14(9-21-24(17)34-23(32-21)12-37-2)31-25(35)16-10-15(6-7-19(16)28)38-11-22(29)30/h3-10,22H,11-12H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
YASZWUWGPQAINY-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