General Information of the Compound
| Compound ID |
CP0505057
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| Compound Name |
4-(4-(((4-tert-butylcyclohexyl)(5-(cyclopentyloxy)-1-methyl-1H-benzo[d]imidazol-2-yl)amino)methyl)phenoxy)butanoic acid
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| Formula |
C34H47N3O4
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| Molecular Weight |
561.767
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| Canonical SMILES |
Cn1c(nc2cc(OC3CCCC3)ccc12)N(Cc1ccc(OCCCC(O)=O)cc1)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C34H47N3O4/c1-34(2,3)25-13-15-26(16-14-25)37(23-24-11-17-27(18-12-24)40-21-7-10-32(38)39)33-35-30-22-29(19-20-31(30)36(33)4)41-28-8-5-6-9-28/h11-12,17-20,22,25-26,28H,5-10,13-16,21,23H2,1-4H3,(H,38,39)/t25-,26-
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| InChIKey |
WWFFQFGDDPKKRY-DIVCQZSQSA-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