General Information of the Compound
| Compound ID |
CP0231013
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| Compound Name |
US9266883, 11
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| Structure |
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| Formula |
C15H15N5O3
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| Molecular Weight |
313.317
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| Canonical SMILES |
COc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncn1
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| InChI |
InChI=1S/C15H15N5O3/c1-23-13-7-12(16-9-17-13)19-15(22)20-6-2-3-10-4-5-11(8-21)18-14(10)20/h4-5,7-9H,2-3,6H2,1H3,(H,16,17,19,22)
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| InChIKey |
YDOWNXUXEDCCQF-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