General Information of the Compound
| Compound ID |
CP0256965
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| Compound Name |
2-[(1S)-5-{3-[2-chloro-4-(4H-1,2,4-triazol-4-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C22H22ClN3O4
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| Molecular Weight |
427.888
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3Cl)-n3cnnc3)ccc12
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| InChI |
InChI=1S/C22H22ClN3O4/c23-20-12-17(26-13-24-25-14-26)4-7-21(20)30-9-1-8-29-18-5-6-19-15(10-18)2-3-16(19)11-22(27)28/h4-7,10,12-14,16H,1-3,8-9,11H2,(H,27,28)/t16-/m0/s1
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| InChIKey |
SUBFPLVLQKUFIF-INIZCTEOSA-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