General Information of the Compound
| Compound ID |
CP0555676
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| Compound Name |
US9303045, 168
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
Cn1ccc(cc1=O)-n1cc(C(=O)OC2CC3COCC(C2)N3)c2ccccc12
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| InChI |
InChI=1S/C22H23N3O4/c1-24-7-6-16(10-21(24)26)25-11-19(18-4-2-3-5-20(18)25)22(27)29-17-8-14-12-28-13-15(9-17)23-14/h2-7,10-11,14-15,17,23H,8-9,12-13H2,1H3
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| InChIKey |
FPVVVYQZGCGRIZ-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