General Information of the Compound
| Compound ID |
CP0402319
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| Compound Name |
2-(4-fluorophenyl)-5-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylcarbamoyl]benzenesulfonic acid
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| Structure |
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| Formula |
C33H33FN4O9S3
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| Molecular Weight |
744.845
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| Canonical SMILES |
OS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C33H33FN4O9S3/c34-25-9-6-23(7-10-25)29-12-8-24(20-32(29)50(44,45)46)33(39)36-49(42,43)28-11-13-30(31(21-28)38(40)41)35-26(14-15-37-16-18-47-19-17-37)22-48-27-4-2-1-3-5-27/h1-13,20-21,26,35H,14-19,22H2,(H,36,39)(H,44,45,46)/t26-/m1/s1
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| InChIKey |
LCBYEMBRULUYAU-AREMUKBSSA-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