General Information of the Compound
| Compound ID |
CP0439851
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| Compound Name |
N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-11-[4-[2-[2-[2-[2-[[4-(2-oxoazetidine-1-carbonyl)phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]undecanamide
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| Structure |
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| Formula |
C55H81N9O8
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| Molecular Weight |
996.308
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(cc2)C(=O)N2CCC2=O)nn1)c1ccccc1
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| InChI |
InChI=1S/C55H81N9O8/c1-42(2)54-59-57-43(3)64(54)50-37-48-22-23-49(38-50)62(48)27-24-51(45-15-11-10-12-16-45)56-52(65)17-13-8-6-4-5-7-9-14-26-61-39-47(58-60-61)41-72-36-34-70-32-30-68-29-31-69-33-35-71-40-44-18-20-46(21-19-44)55(67)63-28-25-53(63)66/h10-12,15-16,18-21,39,42,48-51H,4-9,13-14,17,22-38,40-41H2,1-3H3,(H,56,65)/t48?,49?,50?,51-/m0/s1
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| InChIKey |
NJYLYUFHIMEXIZ-SNOAMIKQSA-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