General Information of the Compound
| Compound ID |
CP0568402
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| Compound Name |
US9290454, 4.3
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| Structure |
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| Formula |
C30H26FN3O5
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| Molecular Weight |
527.552
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| Canonical SMILES |
OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)NC1CC(=O)Nc2ccccc12
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| InChI |
InChI=1S/C30H26FN3O5/c31-20-10-12-21(13-11-20)34-22(5-1-4-8-28(36)37)16-19-15-18(9-14-23(19)30(34)39)29(38)33-26-17-27(35)32-25-7-3-2-6-24(25)26/h2-3,6-7,9-16,26H,1,4-5,8,17H2,(H,32,35)(H,33,38)(H,36,37)
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| InChIKey |
HPLQSJVMVJAUFE-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