General Information of the Compound
| Compound ID |
CP0442893
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| Compound Name |
US9187424, 231
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| Structure |
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| Formula |
C28H26F6N4O3
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| Molecular Weight |
580.529
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2ccn(C)n2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F6N4O3/c1-17-4-6-18(7-5-17)21-16-26(28(32,33)34,19-8-10-20(11-9-19)41-15-3-13-27(29,30)31)36-25(40)23(21)35-24(39)22-12-14-38(2)37-22/h4-12,14H,3,13,15-16H2,1-2H3,(H,35,39)(H,36,40)
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| InChIKey |
KEKRCZLAVLUWOF-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