General Information of the Compound
| Compound ID |
CP0519479
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| Compound Name |
US9266876, 11
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| Structure |
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| Formula |
C21H22N6OS2
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| Molecular Weight |
438.582
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| Canonical SMILES |
Cc1nc(C)c(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)s1
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| InChI |
InChI=1S/C21H22N6OS2/c1-13-17(30-14(2)23-13)11-18(28)26-7-9-27(10-8-26)21-19(22-12-29-21)20-24-15-5-3-4-6-16(15)25-20/h3-6,12H,7-11H2,1-2H3,(H,24,25)
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| InChIKey |
FJRKGRXGBKBCPH-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