General Information of the Compound
| Compound ID |
CP0135955
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| Compound Name |
(S)-2-chloro-4-((2,5-dichlorobenzyl)(1-propionylpyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C21H20Cl3N3O
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| Molecular Weight |
436.77
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C21H20Cl3N3O/c1-2-21(28)26-8-7-18(13-26)27(12-15-9-16(22)4-6-19(15)23)17-5-3-14(11-25)20(24)10-17/h3-6,9-10,18H,2,7-8,12-13H2,1H3/t18-/m0/s1
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| InChIKey |
ITCRYTWKRKCGDZ-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