General Information of the Compound
| Compound ID |
CP0570100
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-5-(3-propoxybenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C30H26N2O5S
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| Molecular Weight |
526.614
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| Canonical SMILES |
CCCOc1cccc(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C30H26N2O5S/c1-2-15-35-22-10-6-9-20(16-22)26(33)27-25(19-7-4-3-5-8-19)31-29(38-27)32-28(34)30(13-14-30)21-11-12-23-24(17-21)37-18-36-23/h3-12,16-17H,2,13-15,18H2,1H3,(H,31,32,34)
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| InChIKey |
RYWVPOBHNZCXGP-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