General Information of the Compound
| Compound ID |
CP0506302
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| Compound Name |
4-fluorobenzyl 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 |
C40H48ClF3N4O5S
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| Molecular Weight |
789.361
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F
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| InChI |
InChI=1S/C40H48ClF3N4O5S/c1-5-18-48(38(50)53-27-28-9-11-30(42)12-10-28)32-13-19-46(20-14-32)21-15-40(29-7-6-8-31(43)24-29)16-22-47(23-17-40)37(49)33-25-36(35(44)26-34(33)41)54(51,52)45-39(2,3)4/h5-12,24-26,32,45H,1,13-23,27H2,2-4H3
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| InChIKey |
ZCMLFWNNIBNHTF-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