General Information of the Compound
| Compound ID |
CP0495291
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| Compound Name |
US9428456, 2.058
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| Structure |
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| Formula |
C24H32N4O3
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| Molecular Weight |
424.545
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| Canonical SMILES |
COCCN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1
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| InChI |
InChI=1S/C24H32N4O3/c1-18-13-21(16-25-15-18)23(29)26-22-6-4-5-19(14-22)17-28-9-7-20(8-10-28)24(30)27(2)11-12-31-3/h4-6,13-16,20H,7-12,17H2,1-3H3,(H,26,29)
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| InChIKey |
UOBZMJGPTDCSPA-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