General Information of the Compound
| Compound ID |
CP0572092
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[5-(5-chloro-2-hydroxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C27H19ClN2O5S
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| Molecular Weight |
518.978
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| Canonical SMILES |
Oc1ccc(Cl)cc1C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C27H19ClN2O5S/c28-17-7-8-19(31)18(13-17)23(32)24-22(15-4-2-1-3-5-15)29-26(36-24)30-25(33)27(10-11-27)16-6-9-20-21(12-16)35-14-34-20/h1-9,12-13,31H,10-11,14H2,(H,29,30,33)
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| InChIKey |
AOEDKAYEECSKCT-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