General Information of the Compound
| Compound ID |
CP0498919
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| Compound Name |
(1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methyl-2-((propylamino)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H25Cl2FN2O
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| Molecular Weight |
423.359
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| Canonical SMILES |
CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H25Cl2FN2O/c1-3-10-26-13-17-12-22(17,16-6-9-19(23)20(24)11-16)21(28)27(2)14-15-4-7-18(25)8-5-15/h4-9,11,17,26H,3,10,12-14H2,1-2H3/t17-,22+/m0/s1
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| InChIKey |
HNTNQXKCVNBBOA-HTAPYJJXSA-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