General Information of the Compound
| Compound ID |
CP0107766
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| Compound Name |
(2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamido]propanoic acid
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| Structure |
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| Formula |
C24H26N2O3S
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| Molecular Weight |
422.55
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| Canonical SMILES |
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCCc2ccccc12
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| InChI |
InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1
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| InChIKey |
NEVHGNNWXYABCA-SJBKTWHCSA-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