General Information of the Compound
| Compound ID |
CP0537632
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| Compound Name |
4-(4-fluorophenyl)-3-methylsulfonyl-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide
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| Structure |
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| Formula |
C34H35FN4O8S3
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| Molecular Weight |
742.873
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| Canonical SMILES |
CS(=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/C34H35FN4O8S3/c1-49(43,44)33-21-25(9-13-30(33)24-7-10-26(35)11-8-24)34(40)37-50(45,46)29-12-14-31(32(22-29)39(41)42)36-27(15-16-38-17-19-47-20-18-38)23-48-28-5-3-2-4-6-28/h2-14,21-22,27,36H,15-20,23H2,1H3,(H,37,40)/t27-/m1/s1
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| InChIKey |
SHBJYYFMMRJMMJ-HHHXNRCGSA-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