General Information of the Compound
| Compound ID |
CP0142426
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| Compound Name |
(2S)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
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| Structure |
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| Formula |
C13H17N
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| Molecular Weight |
187.286
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| Canonical SMILES |
C[C@@H](Cc1ccccc1)N(C)CC#C
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| InChI |
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m0/s1
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| InChIKey |
MEZLKOACVSPNER-LBPRGKRZSA-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