General Information of the Compound
| Compound ID |
CP0510190
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| Compound Name |
US8680275, 35
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| Structure |
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| Formula |
C21H20F3N7O
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| Molecular Weight |
443.433
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| Canonical SMILES |
Cc1cc(nc(n1)C(F)(F)F)N1CC2CCN(CC12)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C21H20F3N7O/c1-13-10-18(28-20(27-13)21(22,23)24)30-11-14-6-9-29(12-17(14)30)19(32)15-4-2-3-5-16(15)31-25-7-8-26-31/h2-5,7-8,10,14,17H,6,9,11-12H2,1H3
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| InChIKey |
XVYQCSDBLWBGHX-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