General Information of the Compound
| Compound ID |
CP0531958
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| Compound Name |
US10201546, Example 66a
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| Structure |
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| Formula |
C26H24ClN7O3
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| Molecular Weight |
517.977
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1OCc1ncccn1)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C26H24ClN7O3/c1-15-6-8-19(16(2)31-15)26(35,21-13-30-33-34(21)3)17-7-9-20-18(12-17)23(27)24(25(32-20)36-4)37-14-22-28-10-5-11-29-22/h5-13,35H,14H2,1-4H3
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| InChIKey |
CEVAEZHECHOOBX-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