General Information of the Compound
| Compound ID |
CP0438345
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| Compound Name |
(3R)-1-[2-[(E)-[2-(2-chloro-4-fluorophenyl)phenyl]methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C21H23Cl2FN2O3
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| Molecular Weight |
441.33
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| Canonical SMILES |
Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2Cl)C1
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| InChI |
InChI=1S/C21H22ClFN2O3.ClH/c22-20-12-17(23)7-8-19(20)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1
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| InChIKey |
IGUIGEACDONWFB-JTZMYIMFSA-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