General Information of the Compound
| Compound ID |
CP0535662
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| Compound Name |
4-((3-allyl-3-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)ureido)methyl)benzamide
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| Structure |
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| Formula |
C41H51ClF2N6O5S
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| Molecular Weight |
813.412
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(cc3)C(N)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F
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| InChI |
InChI=1S/C41H51ClF2N6O5S/c1-5-18-50(39(53)46-27-28-9-11-29(12-10-28)37(45)51)32-13-19-48(20-14-32)21-15-41(30-7-6-8-31(43)24-30)16-22-49(23-17-41)38(52)33-25-36(35(44)26-34(33)42)56(54,55)47-40(2,3)4/h5-12,24-26,32,47H,1,13-23,27H2,2-4H3,(H2,45,51)(H,46,53)
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| InChIKey |
HROBPSVSUBFHCQ-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