General Information of the Compound
| Compound ID |
CP0556440
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| Compound Name |
US9187424, 172
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| Structure |
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| Formula |
C27H26F3N3O5
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| Molecular Weight |
529.515
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| Canonical SMILES |
CCCCOc1ccc(cc1)C1(CC(=C(NC(=O)c2ccno2)C(=O)N1)c1ccc(OC)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3N3O5/c1-3-4-15-37-20-11-7-18(8-12-20)26(27(28,29)30)16-21(17-5-9-19(36-2)10-6-17)23(25(35)33-26)32-24(34)22-13-14-31-38-22/h5-14H,3-4,15-16H2,1-2H3,(H,32,34)(H,33,35)
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| InChIKey |
SSHDDTYQNQYBAK-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