General Information of the Compound
| Compound ID |
CP0048983
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
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| Structure |
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| Formula |
C18H16N4O3S
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| Molecular Weight |
368.418
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| Canonical SMILES |
O=C(NCc1ccc2OCOc2c1)c1nscc1NCc1ccncc1
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| InChI |
InChI=1S/C18H16N4O3S/c23-18(21-9-13-1-2-15-16(7-13)25-11-24-15)17-14(10-26-22-17)20-8-12-3-5-19-6-4-12/h1-7,10,20H,8-9,11H2,(H,21,23)
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| InChIKey |
KMQBYEYISLSNDK-UHFFFAOYSA-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