General Information of the Compound
| Compound ID |
CP0528991
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| Compound Name |
US8614253, 29-4
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| Structure |
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| Formula |
C22H19NO4
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| Molecular Weight |
361.397
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| Canonical SMILES |
Oc1ccc2cc(ccc2c1C=O)-c1cccc(c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C22H19NO4/c24-14-20-19-6-4-16(12-17(19)5-7-21(20)25)15-2-1-3-18(13-15)22(26)23-8-10-27-11-9-23/h1-7,12-14,25H,8-11H2
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| InChIKey |
JZBFVMLLUPAFDP-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