General Information of the Compound
| Compound ID |
CP0358635
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| Compound Name |
(S)-2-chloro-4-((2-chlorobenzyl)(1-(pyridin-2-ylmethyl)pyrrolidin-3-yl)amino)benzonitrile
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| Structure |
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| Formula |
C24H22Cl2N4
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| Molecular Weight |
437.374
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| Canonical SMILES |
Clc1ccccc1CN([C@H]1CCN(Cc2ccccn2)C1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C24H22Cl2N4/c25-23-7-2-1-5-19(23)15-30(21-9-8-18(14-27)24(26)13-21)22-10-12-29(17-22)16-20-6-3-4-11-28-20/h1-9,11,13,22H,10,12,15-17H2/t22-/m0/s1
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| InChIKey |
NNTNLZUSLGNCIJ-QFIPXVFZSA-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