General Information of the Compound
| Compound ID |
CP0417200
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| Compound Name |
(2R)-2-amino-3-[[4-(2-benzylphenyl)-1H-indole-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C25H23N3O3
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| Molecular Weight |
413.477
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| Canonical SMILES |
N[C@H](CNC(=O)c1cc2c(cccc2[nH]1)-c1ccccc1Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C25H23N3O3/c26-21(25(30)31)15-27-24(29)23-14-20-19(11-6-12-22(20)28-23)18-10-5-4-9-17(18)13-16-7-2-1-3-8-16/h1-12,14,21,28H,13,15,26H2,(H,27,29)(H,30,31)/t21-/m1/s1
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| InChIKey |
XABBSEWVPQRAHT-OAQYLSRUSA-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