General Information of the Compound
| Compound ID |
CP0522092
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| Compound Name |
(1R,2S)-2-[amino(methyl)amino]-1-phenylpentan-1-ol
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| Structure |
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| Formula |
C12H20N2O
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| Molecular Weight |
208.305
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| Canonical SMILES |
CCC[C@@H]([C@H](O)c1ccccc1)N(C)N
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| InChI |
InChI=1S/C12H20N2O/c1-3-7-11(14(2)13)12(15)10-8-5-4-6-9-10/h4-6,8-9,11-12,15H,3,7,13H2,1-2H3/t11-,12+/m0/s1
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| InChIKey |
DWENATKKWCDEIV-NWDGAFQWSA-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