General Information of the Compound
| Compound ID |
CP0794045
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| Compound Name |
3-(1H-Indol-3-yl)-2-(3-mercapto-2-naphthalen-1-yl-propionylamino)-propionic acid
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| Structure |
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| Formula |
C24H22N2O3S
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| Molecular Weight |
418.518
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| Canonical SMILES |
O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc2ccccc12
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| InChI |
InChI=1S/C24H22N2O3S/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/h1-11,13,20,22,25,30H,12,14H2,(H,26,27)(H,28,29)
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| InChIKey |
XDZFLVUHADAPKO-UHFFFAOYSA-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