General Information of the Compound
| Compound ID |
CP0910835
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| Compound Name |
(1R,2S,3S,5S)-methyl 8-(3-iodoallyl)-3-(4-propylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C21H28INO2
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| Molecular Weight |
453.364
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| Canonical SMILES |
CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C/C=C/I)cc1
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| InChI |
InChI=1S/C21H28INO2/c1-3-5-15-6-8-16(9-7-15)18-14-17-10-11-19(20(18)21(24)25-2)23(17)13-4-12-22/h4,6-9,12,17-20H,3,5,10-11,13-14H2,1-2H3/b12-4+/t17-,18+,19+,20-/m0/s1
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| InChIKey |
LRZIIDDMLMCOJY-LUVSFPRASA-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