General Information of the Compound
| Compound ID |
CP0126924
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| Compound Name |
US8680275, 190
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| Structure |
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| Formula |
C20H21FN8O
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| Molecular Weight |
408.441
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| Canonical SMILES |
CNc1cc(ncn1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-n1nccn1
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| InChI |
InChI=1S/C20H21FN8O/c1-22-18-9-19(24-12-23-18)28-10-13-4-7-27(11-17(13)28)20(30)15-8-14(21)2-3-16(15)29-25-5-6-26-29/h2-3,5-6,8-9,12-13,17H,4,7,10-11H2,1H3,(H,22,23,24)/t13-,17-/m0/s1
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| InChIKey |
DMZVAYVMPQPDCT-GUYCJALGSA-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