General Information of the Compound
| Compound ID |
CP0414251
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| Compound Name |
US9187424, 280
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| Structure |
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| Formula |
C29H23F8N3O4
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| Molecular Weight |
629.504
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| Canonical SMILES |
FC(F)Oc1ccc(cc1)C1=C(C(=O)Nc2cccnc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H23F8N3O4/c30-26(31)44-21-8-4-17(5-9-21)22-15-27(29(35,36)37,18-6-10-20(11-7-18)43-14-2-12-28(32,33)34)40-25(42)23(22)24(41)39-19-3-1-13-38-16-19/h1,3-11,13,16,26H,2,12,14-15H2,(H,39,41)(H,40,42)
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| InChIKey |
YDKLAEXSRMUBOK-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