General Information of the Compound
| Compound ID |
CP0468642
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| Compound Name |
(2S,4R)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1,4-diphenylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H27Cl2N5O2
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| Molecular Weight |
524.452
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C27H27Cl2N5O2/c1-17(35)32-25-22(28)12-18(13-23(25)29)15-31-27(30)33-26(36)24-14-20(19-8-4-2-5-9-19)16-34(24)21-10-6-3-7-11-21/h2-13,20,24H,14-16H2,1H3,(H,32,35)(H3,30,31,33,36)/t20-,24-/m0/s1
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| InChIKey |
PEVPVBPKLSWPED-RDPSFJRHSA-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