General Information of the Compound
Compound ID |
CP0893231
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Compound Name |
(1R,2S,3S,5S)-4-azido-3-iodophenethyl 3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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Structure |
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Formula |
C23H24ClIN4O2
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Molecular Weight |
550.828
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Canonical SMILES |
CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1)[C@@H](c1ccc(Cl)cc1)C2
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InChI |
InChI=1S/C23H24ClIN4O2/c1-29-17-7-9-21(29)22(18(13-17)15-3-5-16(24)6-4-15)23(30)31-11-10-14-2-8-20(27-28-26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13H2,1H3/t17-,18+,21+,22-/m0/s1
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InChIKey |
PFEYQHAJVMQAQQ-KKXYHZGYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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