General Information of the Compound
| Compound ID |
CP0539845
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| Compound Name |
US9428456, 1.176
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ccncc2)c1
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| InChI |
InChI=1S/C26H34N4O2/c1-19(22-6-5-9-24(18-22)29-25(31)20-10-14-27-15-11-20)30-16-12-21(13-17-30)26(32)28-23-7-3-2-4-8-23/h5-6,9-11,14-15,18-19,21,23H,2-4,7-8,12-13,16-17H2,1H3,(H,28,32)(H,29,31)
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| InChIKey |
RUGRAJFGVGVIGX-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