General Information of the Compound
| Compound ID |
CP0564127
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| Compound Name |
US10100018, Example 21
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| Structure |
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| Formula |
C31H28FNO4
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| Molecular Weight |
497.566
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| Canonical SMILES |
OC(=O)c1ccc(CN(CCCCc2ccccc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
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| InChI |
InChI=1S/C31H28FNO4/c32-28-11-4-5-12-29(28)37-27-19-17-25(18-20-27)30(34)33(21-7-6-10-23-8-2-1-3-9-23)22-24-13-15-26(16-14-24)31(35)36/h1-5,8-9,11-20H,6-7,10,21-22H2,(H,35,36)
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| InChIKey |
BKRGCMOFALKWJU-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