General Information of the Compound
| Compound ID |
CP0536211
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| Compound Name |
US9079906, 221
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| Structure |
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| Formula |
C24H33N5O4
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| Molecular Weight |
455.559
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| Canonical SMILES |
CCOc1nn2c(nn(CC(=O)c3cc(OCCO)cc(c3)C(C)(C)C)c2=N)c(CC)c1C
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| InChI |
InChI=1S/C24H33N5O4/c1-7-19-15(3)22(32-8-2)27-29-21(19)26-28(23(29)25)14-20(31)16-11-17(24(4,5)6)13-18(12-16)33-10-9-30/h11-13,25,30H,7-10,14H2,1-6H3
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| InChIKey |
DFVRQYHNZFDXFK-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