General Information of the Compound
| Compound ID |
CP0376581
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| Compound Name |
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-1-(phenylcarbamothioyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H32N4O2S
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| Molecular Weight |
500.668
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1
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| InChI |
InChI=1S/C29H32N4O2S/c1-32(21-23-14-7-3-8-15-23)28(35)25(20-22-12-5-2-6-13-22)31-27(34)26-18-11-19-33(26)29(36)30-24-16-9-4-10-17-24/h2-10,12-17,25-26H,11,18-21H2,1H3,(H,30,36)(H,31,34)/t25-,26-/m0/s1
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| InChIKey |
JVFWMCDLDRFBQK-UIOOFZCWSA-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