General Information of the Compound
| Compound ID |
CP0506980
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| Compound Name |
US8933079, 9.5
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
CCNCc1ccc(C(=O)Cn2ncc(OCc3ccc(OC)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C23H26N4O4/c1-4-24-11-17-5-8-21(16(2)9-17)22(28)14-27-23(29)10-20(13-26-27)31-15-18-6-7-19(30-3)12-25-18/h5-10,12-13,24H,4,11,14-15H2,1-3H3
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| InChIKey |
PXYXUNWOZLEZKR-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