General Information of the Compound
| Compound ID |
CP0553919
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| Compound Name |
US9133168, Example 2e
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| Structure |
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| Formula |
C19H22N4OS2
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| Molecular Weight |
386.546
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| Canonical SMILES |
C[C@H]1Cc2ccccc2N1C(=S)Cc1nc(cc(=S)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C19H22N4OS2/c1-13-10-14-4-2-3-5-15(14)23(13)19(26)11-16-20-17(12-18(25)21-16)22-6-8-24-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,25)/t13-/m0/s1
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| InChIKey |
HCJMLXHVBILVJU-ZDUSSCGKSA-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