General Information of the Compound
| Compound ID |
CP0516752
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| Compound Name |
US9187424, 153
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| Structure |
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| Formula |
C28H24F6N4O3
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| Molecular Weight |
578.513
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cnccn2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H24F6N4O3/c1-17-3-5-18(6-4-17)21-15-26(28(32,33)34,19-7-9-20(10-8-19)41-14-2-11-27(29,30)31)38-25(40)23(21)37-24(39)22-16-35-12-13-36-22/h3-10,12-13,16H,2,11,14-15H2,1H3,(H,37,39)(H,38,40)
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| InChIKey |
BMQOHQWIUHNBLD-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