General Information of the Compound
| Compound ID |
CP0243242
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| Compound Name |
US10239843, Example 4
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| Structure |
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| Formula |
C16H21N3O4S
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| Molecular Weight |
351.428
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| Canonical SMILES |
CCn1c2ccc(cc2c(=O)n(CC)c1=O)S(=O)(=O)NC1(C)CC1
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| InChI |
InChI=1S/C16H21N3O4S/c1-4-18-13-7-6-11(24(22,23)17-16(3)8-9-16)10-12(13)14(20)19(5-2)15(18)21/h6-7,10,17H,4-5,8-9H2,1-3H3
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| InChIKey |
HSODJMGBIACYNG-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