General Information of the Compound
| Compound ID |
CP0125290
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| Compound Name |
US8680275, 130
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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 |
Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1cc(ccn1)C(F)(F)F)-n1nccn1
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| InChI |
InChI=1S/C21H18F4N6O/c22-15-1-2-17(31-27-6-7-28-31)16(10-15)20(32)29-8-4-13-11-30(18(13)12-29)19-9-14(3-5-26-19)21(23,24)25/h1-3,5-7,9-10,13,18H,4,8,11-12H2/t13-,18-/m0/s1
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| InChIKey |
ARQKAHQKXFVRJJ-UGSOOPFHSA-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