General Information of the Compound
| Compound ID |
CP0442432
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| Compound Name |
2-(S)-Phenethylamine analog 6
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| Structure |
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| Formula |
C16H19F3N2OS
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| Molecular Weight |
344.402
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| Canonical SMILES |
CC(C)C1(C)SC(N[C@@H](C)c2cccc(c2)C(F)(F)F)=NC1=O
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| InChI |
InChI=1S/C16H19F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-6-5-7-12(8-11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1
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| InChIKey |
YZSCZYQSGGKTNN-MYHCZTBNSA-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