General Information of the Compound
| Compound ID |
CP0465517
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| Compound Name |
US9216968, 249
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| Structure |
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| Formula |
C28H25Cl2F3N4O4
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| Molecular Weight |
609.432
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(OCCCC(F)(F)F)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C28H25Cl2F3N4O4/c1-15-20(29)5-3-6-22(15)36-27(39)19-11-16(12-23-25(19)37-24(35-23)14-40-2)34-26(38)18-13-17(7-8-21(18)30)41-10-4-9-28(31,32)33/h3,5-8,11-13H,4,9-10,14H2,1-2H3,(H,34,38)(H,35,37)(H,36,39)
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| InChIKey |
HMECQCBQCVOEJU-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