General Information of the Compound
| Compound ID |
CP0468643
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| Compound Name |
(2S,4S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-4-hydroxy-1-phenylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C21H23Cl2N5O3
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| Molecular Weight |
464.353
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C21H23Cl2N5O3/c1-12(29)26-19-16(22)7-13(8-17(19)23)10-25-21(24)27-20(31)18-9-15(30)11-28(18)14-5-3-2-4-6-14/h2-8,15,18,30H,9-11H2,1H3,(H,26,29)(H3,24,25,27,31)/t15-,18-/m0/s1
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| InChIKey |
ONWRXUHMPCGBDB-YJBOKZPZSA-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