General Information of the Compound
| Compound ID |
CP0499354
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| Compound Name |
4,4-difluoro-N-[(1S)-1-[4-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]phenyl]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C34H49F2N7O4
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| Molecular Weight |
657.807
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| Canonical SMILES |
CNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1
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| InChI |
InChI=1S/C34H49F2N7O4/c1-21(2)32-41-40-22(3)43(32)28-17-26-9-10-27(18-28)42(26)16-13-29(39-33(46)24-11-14-34(35,36)15-12-24)23-5-7-25(8-6-23)38-31(45)20-47-19-30(44)37-4/h5-8,21,24,26-29H,9-20H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t26?,27?,28?,29-/m0/s1
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| InChIKey |
GRYDMJVZRNMDHJ-VMYWCARFSA-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