General Information of the Compound
| Compound ID |
CP0554406
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| Compound Name |
US9428456, 1.106
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cccc(c3)C#N)c2)CC1
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| InChI |
InChI=1S/C27H32N4O2/c28-18-20-6-4-8-23(16-20)27(33)30-25-11-5-7-21(17-25)19-31-14-12-22(13-15-31)26(32)29-24-9-2-1-3-10-24/h4-8,11,16-17,22,24H,1-3,9-10,12-15,19H2,(H,29,32)(H,30,33)
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| InChIKey |
KKYZCIGPIFZOPN-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