General Information of the Compound
| Compound ID |
CP0064978
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| Compound Name |
US8680275, 145
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| Structure |
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| Formula |
C21H18F4N6O
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| Molecular Weight |
446.408
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| Canonical SMILES |
Fc1cccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2cc(ccn2)C(F)(F)F)c1-n1nccn1
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| InChI |
InChI=1S/C21H18F4N6O/c22-16-3-1-2-15(19(16)31-27-7-8-28-31)20(32)29-9-5-13-11-30(17(13)12-29)18-10-14(4-6-26-18)21(23,24)25/h1-4,6-8,10,13,17H,5,9,11-12H2/t13-,17-/m0/s1
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| InChIKey |
WQEUMTUNQPIOJK-GUYCJALGSA-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