General Information of the Compound
| Compound ID |
CP0521308
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| Compound Name |
3-(dibenzylamino)-2,6-difluoro-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C32H25F2N5O3S2
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| Molecular Weight |
629.714
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| Canonical SMILES |
Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2c(F)ccc(N(Cc3ccccc3)Cc3ccccc3)c2F)c2ccccc12
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| InChI |
InChI=1S/C32H25F2N5O3S2/c33-25-15-16-27(39(18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22)29(34)31(25)44(41,42)38-26-17-28(43-32-35-20-36-37-32)30(40)24-14-8-7-13-23(24)26/h1-17,20,38,40H,18-19H2,(H,35,36,37)
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| InChIKey |
KGWFUHCYDZOQBJ-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