General Information of the Compound
| Compound ID |
CP0912355
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| Compound Name |
(1R,2S,3S,5S)-methyl 3-(4-butyl-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C20H28INO2
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| Molecular Weight |
441.353
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| Canonical SMILES |
CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I
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| InChI |
InChI=1S/C20H28INO2/c1-4-5-6-13-7-8-14(11-17(13)21)16-12-15-9-10-18(22(15)2)19(16)20(23)24-3/h7-8,11,15-16,18-19H,4-6,9-10,12H2,1-3H3/t15-,16+,18+,19-/m0/s1
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| InChIKey |
FQPIVYZRQDXHIS-ISARSNTHSA-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