General Information of the Compound
| Compound ID |
CP0159069
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| Compound Name |
2-[4-[[6-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H33N3O4
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| Molecular Weight |
547.655
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| Canonical SMILES |
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C34H33N3O4/c1-3-9-31-36-32-22(2)18-26(33(39)35-29(21-38)25-10-5-4-6-11-25)19-30(32)37(31)20-23-14-16-24(17-15-23)27-12-7-8-13-28(27)34(40)41/h4-8,10-19,29,38H,3,9,20-21H2,1-2H3,(H,35,39)(H,40,41)/t29-/m1/s1
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| InChIKey |
GOEQGNQJUPULCM-GDLZYMKVSA-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