General Information of the Compound
| Compound ID |
CP0516983
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C26H19N3O4S
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| Molecular Weight |
469.522
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| Canonical SMILES |
O=C(Nc1nc(c(s1)C(=O)c1cccnc1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H19N3O4S/c30-22(17-7-4-12-27-14-17)23-21(16-5-2-1-3-6-16)28-25(34-23)29-24(31)26(10-11-26)18-8-9-19-20(13-18)33-15-32-19/h1-9,12-14H,10-11,15H2,(H,28,29,31)
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| InChIKey |
JTUFSCBOPIBXCM-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