General Information of the Compound
| Compound ID |
CP0408532
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| Compound Name |
US9290454, 3.4
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| Structure |
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| Formula |
C30H26FN3O4
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| Molecular Weight |
511.553
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(cc3)C#N)c2=O)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H26FN3O4/c1-19(21-8-11-24(31)12-9-21)33-29(37)22-10-15-27-23(16-22)17-26(4-2-3-5-28(35)36)34(30(27)38)25-13-6-20(18-32)7-14-25/h6-17,19H,2-5H2,1H3,(H,33,37)(H,35,36)/t19-/m1/s1
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| InChIKey |
GERCAPRDMLSXBV-LJQANCHMSA-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