General Information of the Compound
| Compound ID |
CP0120655
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| Compound Name |
US8680275, 97
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| Structure |
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| Formula |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
Cc1cnc(C)c(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-n1nccn1
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| InChI |
InChI=1S/C21H22FN7O/c1-13-10-23-14(2)20(26-13)28-11-15-5-8-27(12-19(15)28)21(30)17-9-16(22)3-4-18(17)29-24-6-7-25-29/h3-4,6-7,9-10,15,19H,5,8,11-12H2,1-2H3/t15-,19-/m0/s1
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| InChIKey |
QWFPALIULRJOIW-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