General Information of the Compound
| Compound ID |
CP0395510
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| Compound Name |
(2S)-3-phenyl-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
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| Structure |
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| Formula |
C21H19N5OS2
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| Molecular Weight |
421.551
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| Canonical SMILES |
O=C(Nc1cnc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1
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| InChI |
InChI=1S/C21H19N5OS2/c27-20(26-19-13-25-21(29-19)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,26,27)/t18-/m0/s1
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| InChIKey |
MZINYAOYTSGCRP-SFHVURJKSA-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