General Information of the Compound
| Compound ID |
CP0358632
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| Compound Name |
(S)-2-chloro-4-((2-chlorobenzyl)(1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C21H20Cl2F3N3
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| Molecular Weight |
442.312
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| Canonical SMILES |
FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H20Cl2F3N3/c22-19-4-2-1-3-16(19)13-29(17-6-5-15(12-27)20(23)11-17)18-7-9-28(14-18)10-8-21(24,25)26/h1-6,11,18H,7-10,13-14H2/t18-/m0/s1
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| InChIKey |
LENLWAUYDUESCL-SFHVURJKSA-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