General Information of the Compound
| Compound ID |
CP0477834
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| Compound Name |
US9133168, Example 5c
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| Structure |
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| Formula |
C20H23ClN4O3
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| Molecular Weight |
402.882
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| Canonical SMILES |
CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2cccc(Cl)c12
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| InChI |
InChI=1S/C20H23ClN4O3/c1-20(2)12-25(14-5-3-4-13(21)19(14)20)18(27)10-15-22-16(11-17(26)23-15)24-6-8-28-9-7-24/h3-5,11H,6-10,12H2,1-2H3,(H,22,23,26)
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| InChIKey |
MRNBNIHICYBRAW-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