General Information of the Compound
| Compound ID |
CP0533844
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| Compound Name |
US10292981, Example 78
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| Structure |
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| Formula |
C23H19ClN4O3
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| Molecular Weight |
434.883
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| Canonical SMILES |
Cc1ccc(cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1)C1=NOC(C)(C)C1=O
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| InChI |
InChI=1S/C23H19ClN4O3/c1-13-8-9-14(20-21(29)23(2,3)31-28-20)10-16(13)18-11-26-19(12-25-18)27-22(30)15-6-4-5-7-17(15)24/h4-12H,1-3H3,(H,26,27,30)
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| InChIKey |
GDPDBPBRFMYPNO-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