General Information of the Compound
| Compound ID |
CP0550416
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[5-(3-chloro-4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C28H21ClN2O5S
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| Molecular Weight |
533.005
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| Canonical SMILES |
COc1ccc(cc1Cl)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H21ClN2O5S/c1-34-20-9-7-17(13-19(20)29)24(32)25-23(16-5-3-2-4-6-16)30-27(37-25)31-26(33)28(11-12-28)18-8-10-21-22(14-18)36-15-35-21/h2-10,13-14H,11-12,15H2,1H3,(H,30,31,33)
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| InChIKey |
VOPXFPJFORIRBH-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