General Information of the Compound
| Compound ID |
CP0538296
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| Compound Name |
2-[[4-[5-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]piperazine-1-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C33H29N5O5
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| Molecular Weight |
575.625
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1C(O)=O
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| InChI |
InChI=1S/C33H29N5O5/c1-21-26-19-23(22-7-3-2-4-8-22)11-13-28(26)43-30(21)31(39)35-24-12-14-29(34-20-24)37-15-17-38(18-16-37)33(42)36-27-10-6-5-9-25(27)32(40)41/h2-14,19-20H,15-18H2,1H3,(H,35,39)(H,36,42)(H,40,41)
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| InChIKey |
LQVOJQGWJNQZKF-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