General Information of the Compound
| Compound ID |
CP0512945
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| Compound Name |
US9428456, 1.264
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| Structure |
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| Formula |
C23H31N5O2
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| Molecular Weight |
409.534
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ncccn3)c2)CC1
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| InChI |
InChI=1S/C23H31N5O2/c1-23(2,3)27-22(30)18-8-12-28(13-9-18)16-17-6-4-7-19(14-17)26-21(29)15-20-24-10-5-11-25-20/h4-7,10-11,14,18H,8-9,12-13,15-16H2,1-3H3,(H,26,29)(H,27,30)
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| InChIKey |
ZQHXXGCTAUOIAZ-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