General Information of the Compound
| Compound ID |
CP0411535
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| Compound Name |
US9290454, 4.2
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| Structure |
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| Formula |
C32H32FN3O4
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| Molecular Weight |
541.623
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(F)cc3)c2=O)c1)c1ccccc1
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| InChI |
InChI=1S/C32H32FN3O4/c1-22-21-34(26-7-3-2-4-8-26)17-18-35(22)31(39)23-11-16-29-24(19-23)20-28(9-5-6-10-30(37)38)36(32(29)40)27-14-12-25(33)13-15-27/h2-4,7-8,11-16,19-20,22H,5-6,9-10,17-18,21H2,1H3,(H,37,38)/t22-/m1/s1
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| InChIKey |
TZMLDGMDXWLXMA-JOCHJYFZSA-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