General Information of the Compound
| Compound ID |
CP0553918
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| Compound Name |
US9133168, Example 19d
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| Structure |
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| Formula |
C24H23FN4O3
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| Molecular Weight |
434.471
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| Canonical SMILES |
Fc1ccccc1-c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C24H23FN4O3/c25-19-6-2-1-4-17(19)16-5-3-7-20-18(16)8-9-29(20)24(31)14-21-26-22(15-23(30)27-21)28-10-12-32-13-11-28/h1-7,15H,8-14H2,(H,26,27,30)
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| InChIKey |
WAKZACDYVACAPD-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