General Information of the Compound
| Compound ID |
CP0505242
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| Compound Name |
US9447038, 157
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| Structure |
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| Formula |
C26H28ClF3N2O5
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| Molecular Weight |
540.966
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| Canonical SMILES |
Cc1cc(CN(CCC(F)(F)F)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C26H28ClF3N2O5/c1-17-14-18(2-7-22(17)37-13-12-32-23(33)8-9-24(32)34)16-31(11-10-26(28,29)30)21(15-25(35)36)19-3-5-20(27)6-4-19/h2-7,14,21H,8-13,15-16H2,1H3,(H,35,36)
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| InChIKey |
JJKJQQUPHOTQTA-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