General Information of the Compound
| Compound ID |
CP0133187
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| Compound Name |
US8680275, 102
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| Structure |
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| Formula |
C20H20FN7O
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| Molecular Weight |
393.426
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| Canonical SMILES |
Cc1cnc(cn1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccc(F)cc1-n1nccn1
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| InChI |
InChI=1S/C20H20FN7O/c1-13-9-23-19(10-22-13)27-11-14-4-7-26(12-18(14)27)20(29)16-3-2-15(21)8-17(16)28-24-5-6-25-28/h2-3,5-6,8-10,14,18H,4,7,11-12H2,1H3/t14-,18-/m0/s1
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| InChIKey |
RNFZYXHJPPPWIF-KSSFIOAISA-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