General Information of the Compound
| Compound ID |
CP0510993
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| Compound Name |
(2S)-4-methyl-2-[[2-[5-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetyl]amino]pentanoic acid
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| Structure |
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| Formula |
C26H27N3O5S
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| Molecular Weight |
493.585
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc12)C(O)=O
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| InChI |
InChI=1S/C26H27N3O5S/c1-17(2)14-22(26(31)32)27-25(30)16-29-13-12-19-15-20(10-11-23(19)29)28-35(33,34)24-9-5-7-18-6-3-4-8-21(18)24/h3-13,15,17,22,28H,14,16H2,1-2H3,(H,27,30)(H,31,32)/t22-/m0/s1
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| InChIKey |
JXQFAJCQNUDILH-QFIPXVFZSA-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