General Information of the Compound
| Compound ID |
CP0168514
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| Compound Name |
US10005782, Compound 134b
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| Structure |
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| Formula |
C22H20ClN5O2
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| Molecular Weight |
421.888
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| Canonical SMILES |
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20ClN5O2/c1-2-18(29)26-16-6-4-3-5-15(16)17-11-12-25-22-19(21(24)30)20(27-28(17)22)13-7-9-14(23)10-8-13/h2-10,17,25H,1,11-12H2,(H2,24,30)(H,26,29)
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| InChIKey |
GJOMMDPXVSZLQK-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