General Information of the Compound
| Compound ID |
CP0943896
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| Compound Name |
(E)-2-(3-(2-(2-Aminoethoxy)ethoxy)-4-hydroxybenzylidene)-5-chloro-2,3-dihydro-1H-inden-1-one hydrochloride
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| Structure |
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| Formula |
C20H21Cl2NO4
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| Molecular Weight |
410.297
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| Canonical SMILES |
Cl.NCCOCCOc1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)ccc1O
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| InChI |
InChI=1S/C20H20ClNO4.ClH/c21-16-2-3-17-14(12-16)11-15(20(17)24)9-13-1-4-18(23)19(10-13)26-8-7-25-6-5-22;/h1-4,9-10,12,23H,5-8,11,22H2;1H/b15-9+;
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| InChIKey |
IKFKFLOQMQGPCW-NSPIFIKESA-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