General Information of the Compound
| Compound ID |
CP0450994
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[5-(3-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C28H22N2O5S
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| Molecular Weight |
498.56
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| Canonical SMILES |
COc1cccc(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H22N2O5S/c1-33-20-9-5-8-18(14-20)24(31)25-23(17-6-3-2-4-7-17)29-27(36-25)30-26(32)28(12-13-28)19-10-11-21-22(15-19)35-16-34-21/h2-11,14-15H,12-13,16H2,1H3,(H,29,30,32)
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| InChIKey |
TXYRDVKGFMNGBM-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