General Information of the Compound
| Compound ID |
CP0537038
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-N-[5-(4-pentylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
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| Formula |
C32H30N2O4S
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| Molecular Weight |
538.669
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| Canonical SMILES |
CCCCCc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
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| InChI |
InChI=1S/C32H30N2O4S/c1-2-3-5-8-21-11-13-23(14-12-21)28(35)29-27(22-9-6-4-7-10-22)33-31(39-29)34-30(36)32(17-18-32)24-15-16-25-26(19-24)38-20-37-25/h4,6-7,9-16,19H,2-3,5,8,17-18,20H2,1H3,(H,33,34,36)
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| InChIKey |
AXXSNGMVTLVGMK-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