General Information of the Compound
| Compound ID |
CP0475733
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| Compound Name |
5-(4-(2-(4-(1-allyl-3-(4-(trifluoromethyl)phenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C40H47ClF5N5O4S
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| Molecular Weight |
824.357
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F
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| InChI |
InChI=1S/C40H47ClF5N5O4S/c1-5-18-51(37(53)47-30-11-9-27(10-12-30)40(44,45)46)31-13-19-49(20-14-31)21-15-39(28-7-6-8-29(42)24-28)16-22-50(23-17-39)36(52)32-25-35(34(43)26-33(32)41)56(54,55)48-38(2,3)4/h5-12,24-26,31,48H,1,13-23H2,2-4H3,(H,47,53)
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| InChIKey |
HYXHVVTTXXLAPD-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