General Information of the Compound
| Compound ID |
CP0948211
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| Compound Name |
3-Ethyl-2-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-3H-benzoimidazole-5-carboxylic acid ((R)-2-hydroxy-propyl)-amide
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
CCn1c(C2(O)c3ccccc3CCc3ccccc32)nc2ccc(C(=O)NC[C@@H](C)O)cc21
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| InChI |
InChI=1S/C28H29N3O3/c1-3-31-25-16-21(26(33)29-17-18(2)32)14-15-24(25)30-27(31)28(34)22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)28/h4-11,14-16,18,32,34H,3,12-13,17H2,1-2H3,(H,29,33)/t18-/m1/s1
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| InChIKey |
FYIUDTGKJMPNEP-GOSISDBHSA-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