General Information of the Compound
| Compound ID |
CP0881403
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| Compound Name |
1-[N-cyano-N'-(2-nitro-phenyl)-carbamimidoyl]-pyrrolidine-2-carboxylic acid [1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide
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| Structure |
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| Formula |
C34H33N7O4
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| Molecular Weight |
603.683
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CCCN1/C(=N/c1ccccc1[N+](=O)[O-])NC#N
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| InChI |
InChI=1S/C34H33N7O4/c1-39(22-24-10-3-2-4-11-24)33(43)29(21-25-17-18-26-12-5-6-13-27(26)20-25)37-32(42)31-16-9-19-40(31)34(36-23-35)38-28-14-7-8-15-30(28)41(44)45/h2-8,10-15,17-18,20,29,31H,9,16,19,21-22H2,1H3,(H,36,38)(H,37,42)/t29-,31-/m1/s1
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| InChIKey |
NPICWBOHBXJCOB-BVRKHOPBSA-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