General Information of the Compound
| Compound ID |
CP0192247
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| Compound Name |
(S)-isopropyl 3-((3-chloro-4-cyanophenyl)(5-fluoro-2-methylbenzyl)amino)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C23H25ClFN3O2
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| Molecular Weight |
429.923
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| Canonical SMILES |
CC(C)OC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C23H25ClFN3O2/c1-15(2)30-23(29)27-9-8-21(14-27)28(13-18-10-19(25)6-4-16(18)3)20-7-5-17(12-26)22(24)11-20/h4-7,10-11,15,21H,8-9,13-14H2,1-3H3/t21-/m0/s1
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| InChIKey |
GQWYUVJFOCQPDO-NRFANRHFSA-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