General Information of the Compound
| Compound ID |
CP0466867
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| Compound Name |
US9079906, 236
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| Structure |
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| Formula |
C25H33N5O5
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| Molecular Weight |
483.569
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| Canonical SMILES |
Cc1cc(OCC2(C)COC2)nn2c1nn(CC(=O)c1cc(OCCO)cc(c1)C(C)(C)C)c2=N
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| InChI |
InChI=1S/C25H33N5O5/c1-16-8-21(35-15-25(5)13-33-14-25)27-30-22(16)28-29(23(30)26)12-20(32)17-9-18(24(2,3)4)11-19(10-17)34-7-6-31/h8-11,26,31H,6-7,12-15H2,1-5H3
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| InChIKey |
CNQDFGDQEDPUSU-UHFFFAOYSA-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