General Information of the Compound
| Compound ID |
CP0381361
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| Compound Name |
(2S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H22Cl2F3N5O2
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| Molecular Weight |
516.351
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl
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| InChI |
InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1
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| InChIKey |
KDSDJZJPLCLBLB-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