General Information of the Compound
| Compound ID |
CP0251624
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| Compound Name |
US9260440, 62
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| Structure |
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| Formula |
C16H17N5O2
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| Molecular Weight |
311.345
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| Canonical SMILES |
CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)
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| InChIKey |
MWIUPFYRAAIUMB-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