General Information of the Compound
| Compound ID |
CP0932312
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| Compound Name |
(1R,2S,3S,5S)-methyl 3-(3,4-dichlorophenyl)-8-(3-iodoallyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C18H20Cl2INO2
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| Molecular Weight |
480.173
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| Canonical SMILES |
COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C/C=C/I
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| InChI |
InChI=1S/C18H20Cl2INO2/c1-24-18(23)17-13(11-3-5-14(19)15(20)9-11)10-12-4-6-16(17)22(12)8-2-7-21/h2-3,5,7,9,12-13,16-17H,4,6,8,10H2,1H3/b7-2+/t12-,13+,16+,17-/m0/s1
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| InChIKey |
ANVGMCMHHXCVBX-RDKMSUMHSA-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