General Information of the Compound
| Compound ID |
CP0414217
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| Compound Name |
US9187424, 119
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| Structure |
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| Formula |
C27H26F6N2O3
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| Molecular Weight |
540.504
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NC2CC2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F6N2O3/c1-16-3-5-17(6-4-16)21-15-25(27(31,32)33,35-24(37)22(21)23(36)34-19-9-10-19)18-7-11-20(12-8-18)38-14-2-13-26(28,29)30/h3-8,11-12,19H,2,9-10,13-15H2,1H3,(H,34,36)(H,35,37)
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| InChIKey |
AGVPRSKJBAHSEV-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