General Information of the Compound
| Compound ID |
CP0462784
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| Compound Name |
(S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(2-acetylamino-phenyl)-amide] 2-{[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide}
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| Structure |
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| Formula |
C35H37N5O4
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| Molecular Weight |
591.712
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1NC(C)=O
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| InChI |
InChI=1S/C35H37N5O4/c1-24(41)36-29-15-8-9-16-30(29)38-35(44)40-20-10-17-32(40)33(42)37-31(34(43)39(2)23-25-11-4-3-5-12-25)22-26-18-19-27-13-6-7-14-28(27)21-26/h3-9,11-16,18-19,21,31-32H,10,17,20,22-23H2,1-2H3,(H,36,41)(H,37,42)(H,38,44)/t31-,32-/m0/s1
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| InChIKey |
KCSRJADYKPWYMI-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