General Information of the Compound
| Compound ID |
CP0564882
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| Compound Name |
US9434725, 294
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| Structure |
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| Formula |
C21H20FN7
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| Molecular Weight |
389.438
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| Canonical SMILES |
Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1(F)CCCNC1
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| InChI |
InChI=1S/C21H20FN7/c1-14-9-24-12-17(27-14)16-8-18-15(10-25-16)11-26-29(18)20-5-2-4-19(28-20)21(22)6-3-7-23-13-21/h2,4-5,8-12,23H,3,6-7,13H2,1H3
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| InChIKey |
RFEQCBHECCTMEH-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