General Information of the Compound
| Compound ID |
CP0516982
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| Compound Name |
N-[5-(1,3-benzodioxole-5-carbonyl)-4-phenyl-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
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| Formula |
C28H20N2O6S
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| Molecular Weight |
512.543
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| Canonical SMILES |
O=C(Nc1nc(c(s1)C(=O)c1ccc2OCOc2c1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H20N2O6S/c31-24(17-6-8-19-21(12-17)35-14-33-19)25-23(16-4-2-1-3-5-16)29-27(37-25)30-26(32)28(10-11-28)18-7-9-20-22(13-18)36-15-34-20/h1-9,12-13H,10-11,14-15H2,(H,29,30,32)
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| InChIKey |
HRAROFVUPCFKAL-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