General Information of the Compound
| Compound ID |
CP0477849
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| Compound Name |
US8772323, 135
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| Structure |
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| Formula |
C17H16N4O2
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| Molecular Weight |
308.341
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| Canonical SMILES |
O=C1NN=C(C2CC12)N1CCc2nc(oc2C1)-c1ccccc1
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| InChI |
InChI=1S/C17H16N4O2/c22-16-12-8-11(12)15(19-20-16)21-7-6-13-14(9-21)23-17(18-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,20,22)
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| InChIKey |
ZMQCTETYFQRFAE-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