General Information of the Compound
| Compound ID |
CP0007100
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| Compound Name |
US9745291, Compound 142
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| Structure |
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| Formula |
C22H29N3O5S
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| Molecular Weight |
447.557
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| Canonical SMILES |
CN(c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29N3O5S/c1-24(31(2,28)29)19-8-5-9-21(12-19)30-16-22(27)23-13-20(26)15-25-11-10-17-6-3-4-7-18(17)14-25/h3-9,12,20,26H,10-11,13-16H2,1-2H3,(H,23,27)
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| InChIKey |
GFKDIZRIYPKLBK-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