General Information of the Compound
| Compound ID |
CP0400491
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| Compound Name |
US10100018, Example 16
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| Structure |
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| Formula |
C30H25F2NO4
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| Molecular Weight |
501.529
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| Canonical SMILES |
OC(=O)c1ccc(CN(CCCc2ccccc2F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
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| InChI |
InChI=1S/C30H25F2NO4/c31-26-8-2-1-6-22(26)7-5-19-33(20-21-11-13-24(14-12-21)30(35)36)29(34)23-15-17-25(18-16-23)37-28-10-4-3-9-27(28)32/h1-4,6,8-18H,5,7,19-20H2,(H,35,36)
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| InChIKey |
YRJOPHXVYGKSJE-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