General Information of the Compound
| Compound ID |
CP0539429
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| Compound Name |
US9221790, 2
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| Structure |
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| Formula |
C18H26ClN7O2
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| Molecular Weight |
407.906
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
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| InChI |
InChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27)
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| InChIKey |
DOHQLPJVYWFFDT-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