General Information of the Compound
| Compound ID |
CP0168979
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| Compound Name |
US8575114, I-1
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| Structure |
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| Formula |
C19H20ClN3O6
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| Molecular Weight |
421.837
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccccn3c2=O)c1
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| InChI |
InChI=1S/C19H20ClN3O6/c20-12-5-4-10(18-17(27)16(26)15(25)13(9-24)29-18)7-11(12)8-23-19(28)22-6-2-1-3-14(22)21-23/h1-7,13,15-18,24-27H,8-9H2/t13-,15-,16+,17-,18+/m1/s1
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| InChIKey |
UXGKLQMLYTUINP-LHKMKVQPSA-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