General Information of the Compound
| Compound ID |
CP0961419
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| Compound Name |
US9464060, 57
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| Structure |
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| Formula |
C31H34FNO5
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| Molecular Weight |
519.613
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| Canonical SMILES |
COc1ccccc1OC1CCC(C(=O)N(CCCc2cccc(F)c2)Cc2ccc(C(=O)O)cc2)CC1
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| InChI |
InChI=1S/C31H34FNO5/c1-37-28-9-2-3-10-29(28)38-27-17-15-24(16-18-27)30(34)33(19-5-7-22-6-4-8-26(32)20-22)21-23-11-13-25(14-12-23)31(35)36/h2-4,6,8-14,20,24,27H,5,7,15-19,21H2,1H3,(H,35,36)
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| InChIKey |
UBQWZKKHKXFYKG-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