General Information of the Compound
| Compound ID |
CP0518557
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| Compound Name |
US8933079, 2.3
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| Structure |
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| Formula |
C26H28FN3O4
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| Molecular Weight |
465.525
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| Canonical SMILES |
Cc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C26H28FN3O4/c1-18-12-19(15-29-9-6-22(31)7-10-29)2-5-24(18)25(32)16-30-11-8-23(13-26(30)33)34-17-21-4-3-20(27)14-28-21/h2-5,8,11-14,22,31H,6-7,9-10,15-17H2,1H3
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| InChIKey |
HGUQDYPKMFDPQK-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