General Information of the Compound
| Compound ID |
CP0576968
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| Compound Name |
US9428456, 1.287
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| Structure |
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| Formula |
C23H30N4O2
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| Molecular Weight |
394.519
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| Canonical SMILES |
CCNC(=O)C1CCCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1
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| InChI |
InChI=1S/C23H30N4O2/c1-3-25-22(28)19-7-5-10-27(11-9-19)16-18-6-4-8-21(13-18)26-23(29)20-12-17(2)14-24-15-20/h4,6,8,12-15,19H,3,5,7,9-11,16H2,1-2H3,(H,25,28)(H,26,29)
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| InChIKey |
PKUGAXLXBAXZFK-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