General Information of the Compound
| Compound ID |
CP0899428
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| Compound Name |
(E)-3-(3-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)-4-hydroxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one hydrochloride
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| Structure |
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| Formula |
C21H25Cl2NO5
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| Molecular Weight |
442.339
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| Canonical SMILES |
Cl.NCCOCCOCCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O
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| InChI |
InChI=1S/C21H24ClNO5.ClH/c22-18-5-3-17(4-6-18)19(24)7-1-16-2-8-20(25)21(15-16)28-14-13-27-12-11-26-10-9-23;/h1-8,15,25H,9-14,23H2;1H/b7-1+;
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| InChIKey |
VSIAFIUITCTERV-BWIDAHPKSA-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