General Information of the Compound
| Compound ID |
CP0567638
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| Compound Name |
US9278960, 8-53
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
COc1cc(C)c(c(C)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
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| InChI |
InChI=1S/C26H26N4O2/c1-15-9-20(32-4)10-16(2)25(15)22-12-24(26(27)31)30-23-11-18(7-8-21(22)23)5-6-19-13-28-17(3)29-14-19/h7-14H,5-6H2,1-4H3,(H2,27,31)
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| InChIKey |
TYOPHGCCSXAFDA-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