General Information of the Compound
| Compound ID |
CP0488329
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| Compound Name |
US8629158, 33
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| Synonyms |
PMID25522065-Compound-7
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(cc12)N1CCN(CCc2ccccc2)CC1=O
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| InChI |
InChI=1S/C26H30N4O/c1-28-23-16-20(8-9-21(23)26-22-10-7-19(27-22)15-24(26)28)30-14-13-29(17-25(30)31)12-11-18-5-3-2-4-6-18/h2-6,8-9,16,19,22,27H,7,10-15,17H2,1H3
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| InChIKey |
JXBCIEBMTZBYLB-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
Clinical Information about the Compound