General Information of the Compound
| Compound ID |
CP0488173
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| Compound Name |
N-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-N-[(4-iodophenyl)methyl]ethanamine
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| Structure |
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| Formula |
C19H26IN
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| Molecular Weight |
395.328
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| Canonical SMILES |
CCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(I)cc1
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| InChI |
InChI=1S/C19H26IN/c1-4-21(12-14-5-9-17(20)10-6-14)13-15-7-8-16-11-18(15)19(16,2)3/h5-7,9-10,16,18H,4,8,11-13H2,1-3H3/t16-,18-/m0/s1
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| InChIKey |
YESORMBHZPPARY-WMZOPIPTSA-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