General Information of the Compound
| Compound ID |
CP0480716
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| Compound Name |
(2S)-N-[5-[2-(methylamino)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C21H21N7OS2
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| Molecular Weight |
451.581
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| Canonical SMILES |
CNc1cc(ccn1)-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1
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| InChI |
InChI=1S/C21H21N7OS2/c1-22-18-10-15(7-8-23-18)20-27-28-21(31-20)26-19(29)17(9-14-5-3-2-4-6-14)24-11-16-12-30-13-25-16/h2-8,10,12-13,17,24H,9,11H2,1H3,(H,22,23)(H,26,28,29)/t17-/m0/s1
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| InChIKey |
BQOUXRFZMULETF-KRWDZBQOSA-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
Protein ID: PT06102, Probable G-protein coupled receptor 142
Protein ID: PT03750, Probable G-protein coupled receptor 142