General Information of the Compound
| Compound ID |
CP0516444
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| Compound Name |
US9278960, 8-30
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| Structure |
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| Formula |
C24H22N4O2
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| Molecular Weight |
398.466
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(nc2cc(CCc3cccnc3N)ccc12)C(N)=O
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| InChI |
InChI=1S/C24H22N4O2/c1-30-18-9-7-16(8-10-18)20-14-22(24(26)29)28-21-13-15(5-11-19(20)21)4-6-17-3-2-12-27-23(17)25/h2-3,5,7-14H,4,6H2,1H3,(H2,25,27)(H2,26,29)
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| InChIKey |
BSKZJAUEUXIFHN-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