General Information of the Compound
| Compound ID |
CP0401776
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| Compound Name |
US10028961, Compound 306
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| Structure |
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| Formula |
C21H28F3N7O
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| Molecular Weight |
451.497
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| Canonical SMILES |
CC(CN1CCOCC1)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C21H28F3N7O/c1-13(12-31-8-10-32-11-9-31)25-19-28-18(16-4-3-5-17(27-16)21(22,23)24)29-20(30-19)26-14(2)15-6-7-15/h3-5,13-15H,6-12H2,1-2H3,(H2,25,26,28,29,30)/t13?,14-/m1/s1
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| InChIKey |
FAGQCPRWPNBUIH-ARLHGKGLSA-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