General Information of the Compound
| Compound ID |
CP0399583
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| Compound Name |
2-ethyl-1-[(3R)-1-[(5-ethyl-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(CC)ccc2[nH]1
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| InChI |
InChI=1S/C24H26N4O/c1-3-16-9-10-19-17(13-16)14-21(25-19)24(29)27-12-11-18(15-27)28-22-8-6-5-7-20(22)26-23(28)4-2/h5-10,13-14,18,25H,3-4,11-12,15H2,1-2H3/t18-/m1/s1
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| InChIKey |
SADOBIBJBVJXKY-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
Protein ID: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2