General Information of the Compound
| Compound ID |
CP0358634
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| Compound Name |
(S)-2-(3-((3-chloro-4-cyanophenyl)(2-chlorobenzyl)amino)pyrrolidin-1-yl)acetamide
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| Structure |
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| Formula |
C20H20Cl2N4O
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| Molecular Weight |
403.313
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| Canonical SMILES |
NC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C20H20Cl2N4O/c21-18-4-2-1-3-15(18)11-26(16-6-5-14(10-23)19(22)9-16)17-7-8-25(12-17)13-20(24)27/h1-6,9,17H,7-8,11-13H2,(H2,24,27)/t17-/m0/s1
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| InChIKey |
ULUDAFJWDUXIQI-KRWDZBQOSA-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