General Information of the Compound
| Compound ID |
CP0215115
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| Compound Name |
(2S)-2-[(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C23H24N2O3S
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| Molecular Weight |
408.523
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| Canonical SMILES |
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2ccccc12
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| InChI |
InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19-,21+/m1/s1
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| InChIKey |
AXECOZSOSVNVEZ-SBHAEUEKSA-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