General Information of the Compound
| Compound ID |
CP0556931
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| Compound Name |
US8772323, 207
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| Structure |
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| Formula |
C17H18N4O3
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| Molecular Weight |
326.356
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| Canonical SMILES |
CC[C@@H]1OC(=O)NN=C1N1CCc2nc(oc2C1)-c1ccccc1
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| InChI |
InChI=1S/C17H18N4O3/c1-2-13-15(19-20-17(22)24-13)21-9-8-12-14(10-21)23-16(18-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,20,22)/t13-/m0/s1
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| InChIKey |
HTCXRVMFMCUFKZ-ZDUSSCGKSA-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