General Information of the Compound
| Compound ID |
CP0368688
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| Compound Name |
US8680275, 22
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| Structure |
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| Formula |
C23H23FN6O
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| Molecular Weight |
418.476
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1c(F)cccc1-c1ncccn1
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| InChI |
InChI=1S/C23H23FN6O/c1-14-11-15(2)28-23(27-14)30-12-16-7-10-29(13-19(16)30)22(31)20-17(5-3-6-18(20)24)21-25-8-4-9-26-21/h3-6,8-9,11,16,19H,7,10,12-13H2,1-2H3
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| InChIKey |
GRZCUNDJSTYPFU-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