General Information of the Compound
| Compound ID |
CP0475705
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| Compound Name |
US10167273, Example 23
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc2ccccc2c1
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| InChI |
InChI=1S/C21H25N3O3S/c1-15-21(16(2)23(3)22-15)28(25,26)24-12-10-19(11-13-24)27-20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14,19H,10-13H2,1-3H3
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| InChIKey |
AQGCEEFKPPNGMT-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