General Information of the Compound
| Compound ID |
CP0089101
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| Compound Name |
US9505765, 195
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| Structure |
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| Formula |
C13H16N4O2
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| Molecular Weight |
260.297
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| Canonical SMILES |
CC(C)(C)Oc1ncnc2[nH]cc(\C=C\C(N)=O)c12
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| InChI |
InChI=1S/C13H16N4O2/c1-13(2,3)19-12-10-8(4-5-9(14)18)6-15-11(10)16-7-17-12/h4-7H,1-3H3,(H2,14,18)(H,15,16,17)/b5-4+
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| InChIKey |
OIZYRHLPFJOIQM-SNAWJCMRSA-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