General Information of the Compound
| Compound ID |
CP0113002
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| Compound Name |
US8680275, 184
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| Structure |
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| Formula |
C22H23FN6O
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| Molecular Weight |
406.465
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-c1cc[nH]n1
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| InChI |
InChI=1S/C22H23FN6O/c1-13-10-14(2)26-22(25-13)29-11-15-7-9-28(12-19(15)29)21(30)16-4-3-5-17(23)20(16)18-6-8-24-27-18/h3-6,8,10,15,19H,7,9,11-12H2,1-2H3,(H,24,27)/t15-,19-/m0/s1
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| InChIKey |
ZLZXBOCSKUBSRY-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