General Information of the Compound
| Compound ID |
CP0502345
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| Compound Name |
4-(methylsulfonyl)benzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate
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| Structure |
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| Formula |
C41H51ClF2N4O7S2
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| Molecular Weight |
849.463
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F
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| InChI |
InChI=1S/C41H51ClF2N4O7S2/c1-6-19-48(39(50)55-28-29-10-12-33(13-11-29)56(5,51)52)32-14-20-46(21-15-32)22-16-41(30-8-7-9-31(43)25-30)17-23-47(24-18-41)38(49)34-26-37(36(44)27-35(34)42)57(53,54)45-40(2,3)4/h6-13,25-27,32,45H,1,14-24,28H2,2-5H3
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| InChIKey |
KDFIICMZEQMNTJ-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