General Information of the Compound
| Compound ID |
CP0535941
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| Compound Name |
US10100018, Example 42
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| Structure |
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| Formula |
C25H21ClFNO4
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| Molecular Weight |
453.897
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| Canonical SMILES |
OC(=O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3c(F)cccc3Cl)cc2)cc1
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| InChI |
InChI=1S/C25H21ClFNO4/c26-21-2-1-3-22(27)23(21)32-20-12-10-18(11-13-20)24(29)28(14-16-4-5-16)15-17-6-8-19(9-7-17)25(30)31/h1-3,6-13,16H,4-5,14-15H2,(H,30,31)
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| InChIKey |
HNCSBMWLHBTZMT-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