General Information of the Compound
| Compound ID |
CP0448249
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| Compound Name |
(R)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(R)-1-(benzyl-methyl-carbamoyl)-2-(3,4-dichloro-phenyl)-ethyl]-amide} 1-[(2-nitro-phenyl)-amide]
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| Structure |
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| Formula |
C29H29Cl2N5O5
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| Molecular Weight |
598.487
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C29H29Cl2N5O5/c1-34(18-19-8-3-2-4-9-19)28(38)24(17-20-13-14-21(30)22(31)16-20)32-27(37)26-12-7-15-35(26)29(39)33-23-10-5-6-11-25(23)36(40)41/h2-6,8-11,13-14,16,24,26H,7,12,15,17-18H2,1H3,(H,32,37)(H,33,39)/t24-,26-/m1/s1
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| InChIKey |
BJLLFVBHTSMSOU-AOYPEHQESA-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