General Information of the Compound
| Compound ID |
CP0945726
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| Compound Name |
(R)-1-(2-Nitro-phenylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide
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| Structure |
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| Formula |
C33H33N5O4S
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| Molecular Weight |
595.725
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CCCN1/C(S)=N/c1ccccc1[N+](=O)[O-]
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| InChI |
InChI=1S/C33H33N5O4S/c1-36(22-23-10-3-2-4-11-23)32(40)28(21-24-17-18-25-12-5-6-13-26(25)20-24)34-31(39)30-16-9-19-37(30)33(43)35-27-14-7-8-15-29(27)38(41)42/h2-8,10-15,17-18,20,28,30H,9,16,19,21-22H2,1H3,(H,34,39)(H,35,43)/t28-,30-/m1/s1
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| InChIKey |
GUFLJCKYBAWVTR-PQHLKRTFSA-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