General Information of the Compound
| Compound ID |
CP0521011
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| Compound Name |
6-(cyclopentylmethoxy)-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoline-2-carboxylic acid
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| Structure |
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| Formula |
C34H33N5O6
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| Molecular Weight |
607.667
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| Canonical SMILES |
CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)-c2nnn[nH]2)c(=O)c2cc(OCC3CCCC3)ccc12
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| InChI |
InChI=1S/C34H33N5O6/c1-2-22-14-29-30(45-19-44-29)15-24(22)17-39-28-11-10-25(43-18-20-6-3-4-7-20)16-26(28)32(40)27(31(39)34(41)42)13-21-8-5-9-23(12-21)33-35-37-38-36-33/h5,8-12,14-16,20H,2-4,6-7,13,17-19H2,1H3,(H,41,42)(H,35,36,37,38)
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| InChIKey |
GLACAXDCNXOWGM-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor