General Information of the Compound
| Compound ID |
CP0414245
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| Compound Name |
US9187424, 179
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| Structure |
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| Formula |
C27H22BrF6N3O4
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| Molecular Weight |
646.382
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cc(Br)no2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H22BrF6N3O4/c1-15-3-5-16(6-4-15)19-14-25(27(32,33)34,17-7-9-18(10-8-17)40-12-2-11-26(29,30)31)36-24(39)22(19)35-23(38)20-13-21(28)37-41-20/h3-10,13H,2,11-12,14H2,1H3,(H,35,38)(H,36,39)
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| InChIKey |
ITICLGIEMYOFMG-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