General Information of the Compound
| Compound ID |
CP0555977
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| Compound Name |
US9428456, 2.085
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| Structure |
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| Formula |
C26H36N4O2
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| Molecular Weight |
436.6
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| Canonical SMILES |
CCC(C)(C)NC(=O)C1CCCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1
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| InChI |
InChI=1S/C26H36N4O2/c1-5-26(3,4)29-25(32)21-9-7-12-30(13-11-21)18-20-8-6-10-23(15-20)28-24(31)22-14-19(2)16-27-17-22/h6,8,10,14-17,21H,5,7,9,11-13,18H2,1-4H3,(H,28,31)(H,29,32)
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| InChIKey |
YAIQILBAMMACAL-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