General Information of the Compound
| Compound ID |
CP0521275
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| Compound Name |
US8969325, 161
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| Structure |
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| Formula |
C19H19ClN4O3
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| Molecular Weight |
386.839
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)NC3COc4cc(Cl)ccc4C3)cccc12
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| InChI |
InChI=1S/C19H19ClN4O3/c1-24-16-4-2-3-15(14(16)9-21-19(24)26)23-18(25)22-13-7-11-5-6-12(20)8-17(11)27-10-13/h2-6,8,13H,7,9-10H2,1H3,(H,21,26)(H2,22,23,25)
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| InChIKey |
LYHWGNYDEXUBFH-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