General Information of the Compound
| Compound ID |
CP0416951
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| Compound Name |
US9493440, 3
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| Structure |
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| Formula |
C20H24N6O3S
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| Molecular Weight |
428.518
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| Canonical SMILES |
CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
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| InChI |
InChI=1S/C20H24N6O3S/c1-20(5-6-20)29-14-3-4-16-15(11-14)19(24-23-16)17-12-18(22-13-21-17)25-7-9-26(10-8-25)30(2,27)28/h3-4,11-13H,5-10H2,1-2H3,(H,23,24)
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| InChIKey |
CKMMXWDBUZJMGG-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