General Information of the Compound
| Compound ID |
CP0547626
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| Compound Name |
US8933079, 1.9
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H30N2O3/c1-21-16-23(18-28-13-6-3-7-14-28)10-11-25(21)26(30)19-29-15-12-24(17-27(29)31)32-20-22-8-4-2-5-9-22/h2,4-5,8-12,15-17H,3,6-7,13-14,18-20H2,1H3
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| InChIKey |
NMDKJUIGDWXUQY-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