General Information of the Compound
| Compound ID |
CP0116104
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| Compound Name |
US8680275, 53
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| Structure |
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
COc1ccccc1C(=O)N1CC2CN(C2C1)c1nccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C23H22N4O2/c1-29-21-10-6-5-9-18(21)22(28)26-13-17-14-27(20(17)15-26)23-24-12-11-19(25-23)16-7-3-2-4-8-16/h2-12,17,20H,13-15H2,1H3
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| InChIKey |
JKDJAMNOQDSZFM-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