General Information of the Compound
| Compound ID |
CP0470798
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| Compound Name |
US9034874, 1.4
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| Structure |
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| Formula |
C17H25N5O3
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| Molecular Weight |
347.419
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| Canonical SMILES |
O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CC1
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| InChI |
InChI=1S/C17H25N5O3/c23-16-4-3-15(18-19-16)21-7-5-14(6-8-21)25-17(24)22-11-9-20(10-12-22)13-1-2-13/h3-4,13-14H,1-2,5-12H2,(H,19,23)
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| InChIKey |
LTYLIIIWUAAHSF-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