General Information of the Compound
| Compound ID |
CP0512282
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| Compound Name |
US9187424, 176
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| Structure |
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| Formula |
C28H25F6N3O5
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| Molecular Weight |
597.512
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| Canonical SMILES |
COc1ccc(cc1)C1=C(NC(=O)c2cc(C)no2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H25F6N3O5/c1-16-14-22(42-37-16)24(38)35-23-21(17-4-8-19(40-2)9-5-17)15-26(28(32,33)34,36-25(23)39)18-6-10-20(11-7-18)41-13-3-12-27(29,30)31/h4-11,14H,3,12-13,15H2,1-2H3,(H,35,38)(H,36,39)
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| InChIKey |
BCQAKGBSEHXBTD-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