General Information of the Compound
| Compound ID |
CP0401361
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| Compound Name |
1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-pentan-2-one O-(2-dimethylamino-ethyl)-oxime
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| Structure |
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| Formula |
C35H39Cl2F6N3O3
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| Molecular Weight |
734.609
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| Canonical SMILES |
CN(C)CCO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C35H39Cl2F6N3O3/c1-45(2)16-17-49-44-32(23-48-22-24-18-27(34(38,39)40)21-28(19-24)35(41,42)43)29(25-8-9-30(36)31(37)20-25)10-13-46-14-11-33(47,12-15-46)26-6-4-3-5-7-26/h3-9,18-21,29,47H,10-17,22-23H2,1-2H3/b44-32+
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| InChIKey |
RNRVUYGVIOJTMN-CMXZEOLJSA-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