General Information of the Compound
| Compound ID |
CP0546566
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| Compound Name |
US10266535, Compound 48
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| Structure |
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| Formula |
C25H27N7O3
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| Molecular Weight |
473.537
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| Canonical SMILES |
N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C25H27N7O3/c26-20(14-33)25(34)31-12-4-5-17(13-31)32-24-21(23(27)28-15-29-24)22(30-32)16-8-10-19(11-9-16)35-18-6-2-1-3-7-18/h1-3,6-11,15,17,20,33H,4-5,12-14,26H2,(H2,27,28,29)/t17-,20-/m1/s1
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| InChIKey |
CLIPDXMIFFETPP-YLJYHZDGSA-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