General Information of the Compound
| Compound ID |
CP0521031
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| Compound Name |
US8618299, 28
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| Structure |
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| Formula |
C26H23F2N3O2
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| Molecular Weight |
447.485
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| Canonical SMILES |
Fc1ccc(COc2ccn(-c3ccc4c5C6CCCN6CCc5[nH]c4c3)c(=O)c2)c(F)c1
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| InChI |
InChI=1S/C26H23F2N3O2/c27-17-4-3-16(21(28)12-17)15-33-19-7-11-31(25(32)14-19)18-5-6-20-23(13-18)29-22-8-10-30-9-1-2-24(30)26(20)22/h3-7,11-14,24,29H,1-2,8-10,15H2
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| InChIKey |
UHRULWRTWCXOQN-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