General Information of the Compound
| Compound ID |
CP0551446
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| Compound Name |
(2R)-4-methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]pentanoic acid
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)Cn1ccc2cc(ccc12)-c1cccc2ccccc12)C(O)=O
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| InChI |
InChI=1S/C26H26N2O3/c1-17(2)14-23(26(30)31)27-25(29)16-28-13-12-20-15-19(10-11-24(20)28)22-9-5-7-18-6-3-4-8-21(18)22/h3-13,15,17,23H,14,16H2,1-2H3,(H,27,29)(H,30,31)/t23-/m1/s1
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| InChIKey |
AFTDNGSNOSIHDJ-HSZRJFAPSA-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