General Information of the Compound
| Compound ID |
CP0396802
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| Compound Name |
(2S)-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]propanoic acid
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| Structure |
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| Formula |
C22H19N3O3
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| Molecular Weight |
373.412
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| Canonical SMILES |
C[C@H](NC(=O)Cn1ccc2cc(ccc12)-c1cnc2ccccc2c1)C(O)=O
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| InChI |
InChI=1S/C22H19N3O3/c1-14(22(27)28)24-21(26)13-25-9-8-17-10-15(6-7-20(17)25)18-11-16-4-2-3-5-19(16)23-12-18/h2-12,14H,13H2,1H3,(H,24,26)(H,27,28)/t14-/m0/s1
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| InChIKey |
WOEBDBHQIKUGLD-AWEZNQCLSA-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