General Information of the Compound
| Compound ID |
CP0413922
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| Compound Name |
(2S)-N-[5-(3-methylimidazol-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 |
C19H19N7OS2
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| Molecular Weight |
425.543
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| Canonical SMILES |
Cn1cncc1-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1
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| InChI |
InChI=1S/C19H19N7OS2/c1-26-11-20-9-16(26)18-24-25-19(29-18)23-17(27)15(7-13-5-3-2-4-6-13)21-8-14-10-28-12-22-14/h2-6,9-12,15,21H,7-8H2,1H3,(H,23,25,27)/t15-/m0/s1
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| InChIKey |
ALDSBCKBDPTGFE-HNNXBMFYSA-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