General Information of the Compound
| Compound ID |
CP0352768
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| Compound Name |
(2S)-2-[3-[4-[(4-octoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C29H37ClF3N5O3
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| Molecular Weight |
596.094
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| Canonical SMILES |
Cl.CCCCCCCCOc1ccc(COc2ccc(cc2C(F)(F)F)-c2noc(n2)[C@@H]2CCCN2C(N)=N)cc1
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| InChI |
InChI=1S/C29H36F3N5O3.ClH/c1-2-3-4-5-6-7-17-38-22-13-10-20(11-14-22)19-39-25-15-12-21(18-23(25)29(30,31)32)26-35-27(40-36-26)24-9-8-16-37(24)28(33)34;/h10-15,18,24H,2-9,16-17,19H2,1H3,(H3,33,34);1H/t24-;/m0./s1
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| InChIKey |
GCMXKPDOCSSMFZ-JIDHJSLPSA-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