General Information of the Compound
| Compound ID |
CP0477417
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| Compound Name |
US10077266, Example 6
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| Structure |
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| Formula |
C24H28F2N6O2
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| Molecular Weight |
470.524
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)CC#N
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| InChI |
InChI=1S/C24H28F2N6O2/c1-15(2)28-23-24(30-19-8-12-32(14-20(19)29-23)22(33)5-9-27)31-10-6-17(7-11-31)34-21-4-3-16(25)13-18(21)26/h3-4,13,15,17H,5-8,10-12,14H2,1-2H3,(H,28,29)
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| InChIKey |
SSSAAZHGVHRQMQ-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