General Information of the Compound
| Compound ID |
CP0479377
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| Compound Name |
US8993565, 48
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| Structure |
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| Formula |
C18H18N4O3
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| Molecular Weight |
338.367
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccc(c1)C#C
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| InChI |
InChI=1S/C18H18N4O3/c1-2-13-4-3-5-14(10-13)19-17(23)11-15-20-16(12-18(24)21-15)22-6-8-25-9-7-22/h1,3-5,10,12H,6-9,11H2,(H,19,23)(H,20,21,24)
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| InChIKey |
WGNUWYIZQFJWNO-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