General Information of the Compound
| Compound ID |
CP0571411
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| Compound Name |
(2S)-3-methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]butanoic acid
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| Structure |
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| Formula |
C25H24N2O3
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| Molecular Weight |
400.478
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| Canonical SMILES |
CC(C)[C@H](NC(=O)Cn1ccc2cc(ccc12)-c1cccc2ccccc12)C(O)=O
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| InChI |
InChI=1S/C25H24N2O3/c1-16(2)24(25(29)30)26-23(28)15-27-13-12-19-14-18(10-11-22(19)27)21-9-5-7-17-6-3-4-8-20(17)21/h3-14,16,24H,15H2,1-2H3,(H,26,28)(H,29,30)/t24-/m0/s1
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| InChIKey |
XDIVZQNPGJHPQC-DEOSSOPVSA-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