General Information of the Compound
| Compound ID |
CP0484941
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| Compound Name |
US9133168, Example 5e
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| Structure |
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| Formula |
C20H24N4O2S
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| Molecular Weight |
384.505
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| Canonical SMILES |
C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=S)n1C)N1CCOCC1
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| InChI |
InChI=1S/C20H24N4O2S/c1-14-11-15-5-3-4-6-16(15)24(14)19(25)12-17-21-18(13-20(27)22(17)2)23-7-9-26-10-8-23/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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| InChIKey |
UBSOPOINCBHRFG-CQSZACIVSA-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