General Information of the Compound
| Compound ID |
CP0497145
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| Compound Name |
(R)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(R)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-methyl-amide} 1-[(2-nitro-phenyl)-amide]
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| Structure |
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| Formula |
C34H35N5O5
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| Molecular Weight |
593.684
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C34H35N5O5/c1-36(23-24-11-4-3-5-12-24)32(40)31(22-25-18-19-26-13-6-7-14-27(26)21-25)37(2)33(41)30-17-10-20-38(30)34(42)35-28-15-8-9-16-29(28)39(43)44/h3-9,11-16,18-19,21,30-31H,10,17,20,22-23H2,1-2H3,(H,35,42)/t30-,31-/m1/s1
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| InChIKey |
JTAYLPLPEXUFKU-FIRIVFDPSA-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