General Information of the Compound
| Compound ID |
CP0115927
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| Compound Name |
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-4-cyanopiperidin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
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| Structure |
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| Formula |
C47H47ClF3N5O6S3
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| Molecular Weight |
966.57
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N
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| InChI |
InChI=1S/C47H47ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-32H2,(H,54,57)/t38-/m1/s1
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| InChIKey |
UQEJYLDSUXJKJB-KXQOOQHDSA-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