General Information of the Compound
| Compound ID |
CP0516248
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| Compound Name |
US8933079, 5.11
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
Cc1cc(CN2CCC(CO)CC2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H31N3O4/c1-20-13-23(16-29-11-9-21(18-31)10-12-29)7-8-25(20)26(32)17-30-27(33)14-24(15-28-30)34-19-22-5-3-2-4-6-22/h2-8,13-15,21,31H,9-12,16-19H2,1H3
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| InChIKey |
MIURNFUKCDVLID-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