General Information of the Compound
| Compound ID |
CP0551018
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| Compound Name |
US8748608, 47
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| Structure |
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| Formula |
C24H28FN3O4
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| Molecular Weight |
441.503
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3o2)CC1
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| InChI |
InChI=1S/C24H28FN3O4/c1-31-22-5-3-2-4-20(22)28-12-10-27(11-13-28)16-19(29)8-9-26-24(30)23-15-17-14-18(25)6-7-21(17)32-23/h2-7,14-15,19,29H,8-13,16H2,1H3,(H,26,30)
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| InChIKey |
QKRYZEPUNXTJKK-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