General Information of the Compound
| Compound ID |
CP0065572
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| Compound Name |
US8680275, 144
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| Structure |
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| Formula |
C22H24FN7O
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| Molecular Weight |
421.48
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| Canonical SMILES |
CN(C)c1ccnc(c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-n1nccn1
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| InChI |
InChI=1S/C22H24FN7O/c1-27(2)16-6-8-24-20(12-16)29-13-15-7-11-28(14-19(15)29)22(31)17-4-3-5-18(23)21(17)30-25-9-10-26-30/h3-6,8-10,12,15,19H,7,11,13-14H2,1-2H3/t15-,19-/m0/s1
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| InChIKey |
SEGXJUXXZMKYLL-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