General Information of the Compound
| Compound ID |
CP0433347
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| Compound Name |
3-[[1-[5-[[3-methyl-5-(1,3-thiazol-2-yl)-1-benzofuran-2-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C31H28N4O5S
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| Molecular Weight |
568.655
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1nccs1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
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| InChI |
InChI=1S/C31H28N4O5S/c1-19-25-16-21(30-32-11-14-41-30)5-7-26(25)40-28(19)29(36)34-23-6-8-27(33-17-23)35-12-9-20(10-13-35)18-39-24-4-2-3-22(15-24)31(37)38/h2-8,11,14-17,20H,9-10,12-13,18H2,1H3,(H,34,36)(H,37,38)
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| InChIKey |
NQHGCAFLYAAXAW-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