General Information of the Compound
| Compound ID |
CP0199618
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| Compound Name |
US8680275, 126
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| Structure |
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| Formula |
C21H21FN6O
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| Molecular Weight |
392.438
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| Canonical SMILES |
Cc1cccc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-n1nccn1
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| InChI |
InChI=1S/C21H21FN6O/c1-14-3-2-4-20(25-14)27-12-15-7-10-26(13-19(15)27)21(29)17-11-16(22)5-6-18(17)28-23-8-9-24-28/h2-6,8-9,11,15,19H,7,10,12-13H2,1H3/t15-,19-/m0/s1
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| InChIKey |
UBJATSKHGOXQKG-KXBFYZLASA-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