General Information of the Compound
| Compound ID |
CP0458548
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| Compound Name |
US9469631, 26
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| Structure |
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| Formula |
C22H32N6O3
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| Molecular Weight |
428.537
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| Canonical SMILES |
CC1=NNNN1c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C22H32N6O3/c1-15-23-24-25-28(15)19-7-5-16(6-8-19)20(29)27(17-9-10-17)18-11-13-26(14-12-18)21(30)31-22(2,3)4/h5-8,17-18,24-25H,9-14H2,1-4H3
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| InChIKey |
LUGSYKNMJYHUFE-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