General Information of the Compound
| Compound ID |
CP0505360
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| Compound Name |
methyl 4-[[[1-[2-[1-[5-(tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl]-4-(3-fluorophenyl)piperidin-4-yl]ethyl]piperidin-4-yl]-prop-2-enylcarbamoyl]oxymethyl]benzoate
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| Structure |
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| Formula |
C42H51ClF2N4O7S
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| Molecular Weight |
829.407
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| Canonical SMILES |
COC(=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1
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| InChI |
InChI=1S/C42H51ClF2N4O7S/c1-6-19-49(40(52)56-28-29-10-12-30(13-11-29)39(51)55-5)33-14-20-47(21-15-33)22-16-42(31-8-7-9-32(44)25-31)17-23-48(24-18-42)38(50)34-26-37(36(45)27-35(34)43)57(53,54)46-41(2,3)4/h6-13,25-27,33,46H,1,14-24,28H2,2-5H3
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| InChIKey |
CXTYCVTVZHPFQN-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