General Information of the Compound
| Compound ID |
CP0128364
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| Compound Name |
US8680275, 194
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| Structure |
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| Formula |
C22H23FN8O
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| Molecular Weight |
434.479
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| Canonical SMILES |
Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1cc(NC2CC2)ncn1)-n1nccn1
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| InChI |
InChI=1S/C22H23FN8O/c23-15-1-4-18(31-26-6-7-27-31)17(9-15)22(32)29-8-5-14-11-30(19(14)12-29)21-10-20(24-13-25-21)28-16-2-3-16/h1,4,6-7,9-10,13-14,16,19H,2-3,5,8,11-12H2,(H,24,25,28)/t14-,19-/m0/s1
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| InChIKey |
OMIGRHBORNOVFI-LIRRHRJNSA-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