General Information of the Compound
| Compound ID |
CP0556361
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| Compound Name |
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methyl-N-prop-2-ynylpropanamide
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| Formula |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=O)N(C)CC#C
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| InChI |
InChI=1S/C21H23FN2O2/c1-4-12-24(3)21(25)16(2)23-14-17-8-10-20(11-9-17)26-15-18-6-5-7-19(22)13-18/h1,5-11,13,16,23H,12,14-15H2,2-3H3/t16-/m0/s1
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| InChIKey |
RPWRBQYRAQTDMF-INIZCTEOSA-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