General Information of the Compound
| Compound ID |
CP0548231
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| Compound Name |
US9290454, 4.4
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| Structure |
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| Formula |
C29H26F2N2O4
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| Molecular Weight |
504.533
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc2c(c1)cc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H26F2N2O4/c1-18(19-6-9-22(30)10-7-19)32-28(36)20-8-15-26-21(16-20)17-25(4-2-3-5-27(34)35)33(29(26)37)24-13-11-23(31)12-14-24/h6-18H,2-5H2,1H3,(H,32,36)(H,34,35)/t18-/m1/s1
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| InChIKey |
NXJVSPCZMLVTEC-GOSISDBHSA-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