General Information of the Compound
| Compound ID |
CP0447918
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| Compound Name |
(2S,4R)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-phenyl-4-phenylmethoxypyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H29Cl2N5O3
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| Molecular Weight |
554.478
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl
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| InChI |
InChI=1S/C28H29Cl2N5O3/c1-18(36)33-26-23(29)12-20(13-24(26)30)15-32-28(31)34-27(37)25-14-22(38-17-19-8-4-2-5-9-19)16-35(25)21-10-6-3-7-11-21/h2-13,22,25H,14-17H2,1H3,(H,33,36)(H3,31,32,34,37)/t22-,25+/m1/s1
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| InChIKey |
GNFFCOREKIKKBF-RDGATRHJSA-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