General Information of the Compound
| Compound ID |
CP0396803
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| Compound Name |
(2S)-3-phenyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H23N3O3
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| Molecular Weight |
449.51
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc2cc(ccc12)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C28H23N3O3/c32-27(30-25(28(33)34)14-19-6-2-1-3-7-19)18-31-13-12-22-15-20(10-11-26(22)31)23-16-21-8-4-5-9-24(21)29-17-23/h1-13,15-17,25H,14,18H2,(H,30,32)(H,33,34)/t25-/m0/s1
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| InChIKey |
PSQPFBXZPKGBLR-VWLOTQADSA-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