General Information of the Compound
| Compound ID |
CP0559708
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| Compound Name |
US8846929, 239
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| Structure |
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| Formula |
C25H35N3O3
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| Molecular Weight |
425.573
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| Canonical SMILES |
CCCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
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| InChI |
InChI=1S/C25H35N3O3/c1-2-14-25(15-8-4-3-5-9-16-25)27-17-12-19(13-18-27)28-21-11-7-6-10-20(21)26-22(23(28)29)24(30)31/h6-7,10-11,19H,2-5,8-9,12-18H2,1H3,(H,30,31)
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| InChIKey |
OWUVDCOEBMKTTI-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