General Information of the Compound
| Compound ID |
CP0473774
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| Compound Name |
N-(2-hydroxyethyl)-1-[[(11E)-11-[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethylidene]-6H-benzo[c][1]benzoxepin-8-yl]methyl]-2-propylbenzimidazole-4-carboxamide
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| Structure |
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| Formula |
C32H31N5O5
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| Molecular Weight |
565.63
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| Canonical SMILES |
CCCc1nc2c(cccc2n1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)c1)C(=O)NCCO
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| InChI |
InChI=1S/C32H31N5O5/c1-3-7-27-34-29-24(31(39)33-14-15-38)9-6-10-25(29)37(27)17-20-12-13-22-21(16-20)18-41-26-11-5-4-8-23(26)28(22)19(2)30-35-32(40)42-36-30/h4-6,8-13,16,38H,3,7,14-15,17-18H2,1-2H3,(H,33,39)(H,35,36,40)/b28-19+
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| InChIKey |
AYUWEBLWVHNGJE-TURZUDJPSA-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