General Information of the Compound
| Compound ID |
CP0496216
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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-dimethylcarbamoyl-phenyl)-amide]
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| Structure |
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| Formula |
C36H39N5O4
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| Molecular Weight |
605.739
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| Canonical SMILES |
CN(C)C(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C36H39N5O4/c1-39(2)34(43)29-16-9-10-17-30(29)38-36(45)41-21-11-18-32(41)33(42)37-31(35(44)40(3)24-25-12-5-4-6-13-25)23-26-19-20-27-14-7-8-15-28(27)22-26/h4-10,12-17,19-20,22,31-32H,11,18,21,23-24H2,1-3H3,(H,37,42)(H,38,45)/t31-,32-/m0/s1
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| InChIKey |
DSNJUUKGQCMCOQ-ACHIHNKUSA-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