General Information of the Compound
| Compound ID |
CP0345297
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| Compound Name |
4-[2-[3-(aminomethyl)phenyl]-4-chlorophenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C22H16ClN5O3S2
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| Molecular Weight |
497.989
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| Canonical SMILES |
NCc1cccc(c1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C22H16ClN5O3S2/c23-17-4-6-21(19(10-17)15-3-1-2-14(8-15)11-24)31-20-7-5-18(9-16(20)12-25)33(29,30)28-22-26-13-27-32-22/h1-10,13H,11,24H2,(H,26,27,28)
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| InChIKey |
IKXKISRGWFQXCA-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