General Information of the Compound
| Compound ID |
CP0450242
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| Compound Name |
US8933079, 5.14
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
Cc1cc(CN2CCC(C)(O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H29N3O4/c1-19-12-21(15-28-11-10-26(2,32)18-28)8-9-23(19)24(30)16-29-25(31)13-22(14-27-29)33-17-20-6-4-3-5-7-20/h3-9,12-14,32H,10-11,15-18H2,1-2H3
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| InChIKey |
RRXVYXVFENQLEQ-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