General Information of the Compound
| Compound ID |
CP0477242
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| Compound Name |
methyl (1R,5R,9R)-2-[(2S)-2-amino-3-phenylpropanoyl]-2-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
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| Structure |
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| Formula |
C19H27ClN2O3
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| Molecular Weight |
366.889
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| Canonical SMILES |
Cl.COC(=O)[C@@H]1[C@@H]2CCC[C@H]1N(CC2)C(=O)[C@@H](N)Cc1ccccc1
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| InChI |
InChI=1S/C19H26N2O3.ClH/c1-24-19(23)17-14-8-5-9-16(17)21(11-10-14)18(22)15(20)12-13-6-3-2-4-7-13;/h2-4,6-7,14-17H,5,8-12,20H2,1H3;1H/t14-,15+,16-,17-;/m1./s1
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| InChIKey |
NZKZGMDKMPJZMC-MUNKTVQGSA-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