General Information of the Compound
| Compound ID |
CP0947822
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| Compound Name |
(E)-3-(3-(2-Aminoethoxy)-4-hydroxyphenyl)-1-(4-chlorophenyl)-prop-2-en-1-one hydrochloride
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| Structure |
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| Formula |
C17H17Cl2NO3
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| Molecular Weight |
354.233
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| Canonical SMILES |
Cl.NCCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O
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| InChI |
InChI=1S/C17H16ClNO3.ClH/c18-14-5-3-13(4-6-14)15(20)7-1-12-2-8-16(21)17(11-12)22-10-9-19;/h1-8,11,21H,9-10,19H2;1H/b7-1+;
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| InChIKey |
CZTQKPZYPHQNQV-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