General Information of the Compound
| Compound ID |
CP0073410
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| Compound Name |
4-((2-chlorobenzyl)(1-(3-methylisoxazol-5-yl)ethyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C20H17Cl2N3O
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| Molecular Weight |
386.282
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| Canonical SMILES |
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1cc(C)no1
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| InChI |
InChI=1S/C20H17Cl2N3O/c1-13-9-20(26-24-13)14(2)25(12-16-5-3-4-6-18(16)21)17-8-7-15(11-23)19(22)10-17/h3-10,14H,12H2,1-2H3
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| InChIKey |
MWUDMNDCUJFTIP-UHFFFAOYSA-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