General Information of the Compound
| Compound ID |
CP0475608
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| Compound Name |
5-fluoro-2-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylcarbamoyl]phenyl]benzenesulfonyl fluoride
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| Structure |
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| Formula |
C33H32F2N4O8S3
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| Molecular Weight |
746.836
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1S(F)(=O)=O
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| InChI |
InChI=1S/C33H32F2N4O8S3/c34-25-10-12-29(32(20-25)49(35,43)44)23-6-8-24(9-7-23)33(40)37-50(45,46)28-11-13-30(31(21-28)39(41)42)36-26(14-15-38-16-18-47-19-17-38)22-48-27-4-2-1-3-5-27/h1-13,20-21,26,36H,14-19,22H2,(H,37,40)/t26-/m1/s1
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| InChIKey |
XKUVJLDXZJDCNG-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