General Information of the Compound
| Compound ID |
CP0518178
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| Compound Name |
US8993565, 30
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| Structure |
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| Formula |
C15H17N5O3
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| Molecular Weight |
315.333
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccnc1
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| InChI |
InChI=1S/C15H17N5O3/c21-14(17-11-2-1-3-16-10-11)8-12-18-13(9-15(22)19-12)20-4-6-23-7-5-20/h1-3,9-10H,4-8H2,(H,17,21)(H,18,19,22)
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| InChIKey |
BGFJVEJJKHCWAW-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