General Information of the Compound
| Compound ID |
CP0428947
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| Compound Name |
(S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide} 1-[(2-hydroxymethyl-phenyl)-amide]
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| Structure |
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| Formula |
C34H36N4O4
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| Molecular Weight |
564.686
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1CO
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| InChI |
InChI=1S/C34H36N4O4/c1-37(22-24-10-3-2-4-11-24)33(41)30(21-25-17-18-26-12-5-6-13-27(26)20-25)35-32(40)31-16-9-19-38(31)34(42)36-29-15-8-7-14-28(29)23-39/h2-8,10-15,17-18,20,30-31,39H,9,16,19,21-23H2,1H3,(H,35,40)(H,36,42)/t30-,31-/m0/s1
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| InChIKey |
NFMRLIYGGXGINK-CONSDPRKSA-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