General Information of the Compound
| Compound ID |
CP0093721
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| Compound Name |
(2S)-3-phenyl-N-[3-(1H-pyrazol-4-yl)phenyl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1cn[nH]c1)[C@H](Cc1ccccc1)NCc1cscn1
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| InChI |
InChI=1S/C22H21N5OS/c28-22(27-19-8-4-7-17(10-19)18-11-25-26-12-18)21(9-16-5-2-1-3-6-16)23-13-20-14-29-15-24-20/h1-8,10-12,14-15,21,23H,9,13H2,(H,25,26)(H,27,28)/t21-/m0/s1
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| InChIKey |
BDOXDJUJDRXRLK-NRFANRHFSA-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