General Information of the Compound
| Compound ID |
CP0513072
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| Compound Name |
(2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]propanamide
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| Structure |
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| Formula |
C18H16N6OS3
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| Molecular Weight |
428.568
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| Canonical SMILES |
O=C(Nc1nnc(s1)-c1cncs1)[C@H](Cc1ccccc1)NCc1cscn1
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| InChI |
InChI=1S/C18H16N6OS3/c25-16(22-18-24-23-17(28-18)15-8-19-10-27-15)14(6-12-4-2-1-3-5-12)20-7-13-9-26-11-21-13/h1-5,8-11,14,20H,6-7H2,(H,22,24,25)/t14-/m0/s1
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| InChIKey |
JOSQCIRAOBHESO-AWEZNQCLSA-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